Geometry & MOs

Info

ID:	336912
PubChem CID:	127255919
Reduced:	N2O2C9H12 (1)
Stoich.:	A2B2C9D12 (1)
Weight, g/mol:	530.216535
ΔH_f, kcal/mol:	1.73
Dipole, Da:	5.82
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-ethoxy-3-[[4-[2-[(E)-(ethoxycarbonyloxyhydrazinylidene)methyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC=C1[N+](=O)[O-])N

DOS

IR

Vibrations