Geometry & MOs

Info

ID:	164435
PubChem CID:	74399799
Reduced:	N8O9C15H22 (1)
Stoich.:	A8B9C15D22 (1)
Weight, g/mol:	486.145889
ΔH_f, kcal/mol:	14.66
Dipole, Da:	8.09
IP(EA), eV:	-10.12(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[[[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCN(CC)[N+](=NOC1=C(C=C(C(=C1)ON=[N+](N2CCCC2CO)[O-])[N+](=O)[O-])[N+](=O)[O-])[O-]

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCN(CC)[N+](=NOC1=C(C=C(C(=C1)ON=[N+](N2CCCC2CO)[O-])[N+](=O)[O-])[N+](=O)[O-])[O-]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):