Geometry & MOs

Info

ID:	165202
PubChem CID:	74516241
Reduced:	ClNO3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	396.97304
ΔH_f, kcal/mol:	-75.52
Dipole, Da:	4.05
IP(EA), eV:	-9.41(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-(4-iodoanilino)but-2-en-1-one

Drug info:

PubChemData

Smile

CC(=CC(=O)C1=CC=C(C=C1)Cl)NC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations