Geometry & MOs

Info

ID:	445879
PubChem CID:	135269857
Reduced:	O3N5C26H31 (1)
Stoich.:	A3B5C26D31 (1)
Weight, g/mol:	432.227374
ΔH_f, kcal/mol:	-7.3
Dipole, Da:	3.73
IP(EA), eV:	-9.02(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[N-[(Z)-1-[5-[cyclohexa-2,4-dien-1-yl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2-(methylideneamino)prop-1-enyl]-C-methylcarbonimidoyl]-N,N-dimethylbenzamide

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

C/C=C(/C(=O)NC1=NC2=CC=CC=C2O1)\N=C(C=C)/C(=C/C=C(\C)/C(=O)N3CCCNCC3)/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

C/C=C(/C(=O)NC1=NC2=CC=CC=C2O1)\N=C(C=C)/C(=C/C=C(\C)/C(=O)N3CCCNCC3)/C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):