Geometry & MOs

Info

ID:	165551
PubChem CID:	74565013
Reduced:	N3O4H19C23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	401.137556
ΔH_f, kcal/mol:	-1.73
Dipole, Da:	4.78
IP(EA), eV:	-9.26(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations