Geometry & MOs

Info

ID:	195797
PubChem CID:	78732389
Reduced:	ClON2C21H24 (1)
Stoich.:	ABC2D21E24 (1)
Weight, g/mol:	354.149891
ΔH_f, kcal/mol:	19.08
Dipole, Da:	3.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.233412
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

C1C[NH+](CCC1NC(=O)C=CC2=CC=CC=C2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations