Geometry & MOs

Info

ID:	302030
PubChem CID:	124338618
Reduced:	OCl2N2F3H19C20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	384.196841
ΔH_f, kcal/mol:	-181.83
Dipole, Da:	1.88
IP(EA), eV:	-9.08(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations