Geometry & MOs

Info

ID:	302033
PubChem CID:	124338621
Reduced:	ClON2C21H31 (1)
Stoich.:	ABC2D21E31 (1)
Weight, g/mol:	372.12407
ΔH_f, kcal/mol:	-67.3
Dipole, Da:	6.19
IP(EA), eV:	-8.93(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1CCCC(CCC1)NC(=O)C2CCN(CC2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations