Geometry & MOs

Info

ID:	337678
PubChem CID:	127258301
Reduced:	ON2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	326.101505
ΔH_f, kcal/mol:	2.77
Dipole, Da:	5.71
IP(EA), eV:	-8.89(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(4-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N/N=C(\C(=O)C)/C(=O)NC2=CC=CC=N2

DOS

IR

Vibrations