Geometry & MOs

Info

ID:	169632
PubChem CID:	75128800
Reduced:	NO2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	383.140055
ΔH_f, kcal/mol:	-76.06
Dipole, Da:	4.74
IP(EA), eV:	-8.22(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-chlorophenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC(=CC=C3)OC

DOS

IR

Vibrations