Geometry & MOs

Info

ID:	195081
PubChem CID:	78632115
Reduced:	SN3O4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	368.129156
ΔH_f, kcal/mol:	-69.76
Dipole, Da:	4.1
IP(EA), eV:	-9.13(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-chlorophenyl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C=CC(=O)NNC(=O)C(=O)NCC2=CC=CO2

DOS

IR

Vibrations