Geometry & MOs

Info

ID:	343293
PubChem CID:	127266466
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	451.114628
ΔH_f, kcal/mol:	-68.87
Dipole, Da:	8.62
IP(EA), eV:	-8.73(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3,4,5-triethoxybenzohydrazide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NN/C=C/2\C(=NC3=CC=CC=C32)C

DOS

IR

Vibrations