Geometry & MOs

Info

ID:	446385
PubChem CID:	135274586
Reduced:	N5C26H51 (1)
Stoich.:	A5B26C51 (1)
Weight, g/mol:	1126.553385
ΔH_f, kcal/mol:	-60.74
Dipole, Da:	2.28
IP(EA), eV:	-8.57(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-[1,3-bis[2,2-bis(2-fluorooxyethoxymethyl)butoxy]propan-2-yloxy]-3-[2,2-bis(2-fluorooxyethoxymethyl)butoxy]propoxy]methyl]-2-(2-fluorooxyethoxymethyl)butoxy]ethyl hypofluorite

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

CC(C)CCN(CCC(C)C)C1=NC(=NC(=N1)C(C)C)N(CCC(C)C)CCC(C)C

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

CC(C)CCN(CCC(C)C)C1=NC(=NC(=N1)C(C)C)N(CCC(C)C)CCC(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):