Geometry & MOs

Info

ID:	302031
PubChem CID:	124338619
Reduced:	ClON2C23H29 (1)
Stoich.:	ABC2D23E29 (1)
Weight, g/mol:	384.196841
ΔH_f, kcal/mol:	-36.32
Dipole, Da:	5.89
IP(EA), eV:	-8.81(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CCC1=CC=CC=C1)NC(=O)C2CCN(CC2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations