Geometry & MOs

Info

ID:	337669
PubChem CID:	127258292
Reduced:	N3O4C6H9 (1)
Stoich.:	A3B4C6D9 (1)
Weight, g/mol:	342.09642
ΔH_f, kcal/mol:	-119.56
Dipole, Da:	1.98
IP(EA), eV:	-10.53(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2Z)-2-(4-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-3-oxo-N-phenylbutanamide

Drug info:

PubChemData

Smile

CC(=O)/C(=N\OCC(=O)N)/C(=O)N

DOS

IR

Vibrations