Geometry & MOs

Info

ID:	297057
PubChem CID:	117607384
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	340.117155
ΔH_f, kcal/mol:	-61.86
Dipole, Da:	4.41
IP(EA), eV:	-8.98(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(Z)-3-(3,5-dimethylphenyl)-2-hydrazinyl-3-oxoprop-1-enyl]imino-3-nitrocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(=CC1)C2=CNN=C2

DOS

IR

Vibrations