Geometry & MOs

Info

ID:	405061
PubChem CID:	135072380
Reduced:	NO2C28H29 (1)
Stoich.:	AB2C28D29 (1)
Weight, g/mol:	451.110584
ΔH_f, kcal/mol:	-27.04
Dipole, Da:	2.34
IP(EA), eV:	-8.73(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[3,3-bis(4-chlorophenyl)prop-2-enyl]-3-oxobutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=CCN(CC2=CC=CC=C2)C(=O)CC(=O)C)C3=CC=C(C=C3)C

DOS

IR

Vibrations