Geometry & MOs

Info

ID:	397036
PubChem CID:	135029632
Reduced:	ClNO2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	310.095357
ΔH_f, kcal/mol:	-34.7
Dipole, Da:	1.61
IP(EA), eV:	-9.55(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N/C(=C\C(=O)C1=CC=CC=C1)/C2=CC=CC=C2Cl

DOS

IR

Vibrations