Geometry & MOs

Info

ID:	337711
PubChem CID:	127258334
Reduced:	N3O3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	324.111007
ΔH_f, kcal/mol:	-44.89
Dipole, Da:	2.81
IP(EA), eV:	-8.25(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-(4-methylphenyl)-2-[(3-nitrophenyl)methylidene]-3-oxobutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations