Geometry & MOs

Info

ID:	342977
PubChem CID:	127266140
Reduced:	N3C9H11 (2)
Stoich.:	A3B9C11 (2)
Weight, g/mol:	348.144948
ΔH_f, kcal/mol:	114.87
Dipole, Da:	4.82
IP(EA), eV:	-8.4(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(N=N1)CCNCC2=CN=C(C=C2)N(C)C3=CC=CC=C3

DOS

IR

Vibrations