Geometry & MOs

Info

ID:	337674
PubChem CID:	127258297
Reduced:	N3O3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	326.101505
ΔH_f, kcal/mol:	-47.39
Dipole, Da:	3.63
IP(EA), eV:	-8.75(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)/C(=N/NC1=CC(=CC=C1)OC)/C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations