Geometry & MOs

Info

ID:	391310
PubChem CID:	135004247
Reduced:	NPO3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	439.074199
ΔH_f, kcal/mol:	-173.88
Dipole, Da:	4.51
IP(EA), eV:	-8.63(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-3-(benzylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl] 2-(4-chlorophenyl)acetate

Drug info:

PubChemData

Smile

CCOP1(=O)C(NC2=CC=CC=C2O1)(C)C

DOS

IR

Vibrations