Geometry & MOs

Info

ID:	89356
PubChem CID:	49960737
Reduced:	O3N5H11C12 (1)
Stoich.:	A3B5C11D12 (1)
Weight, g/mol:	289.081104
ΔH_f, kcal/mol:	39.67
Dipole, Da:	7.62
IP(EA), eV:	-9.18(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN1)C(=O)N/N=C/C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations