Geometry & MOs

Info

ID:	174658
PubChem CID:	75802504
Reduced:	ClON3C22H27 (1)
Stoich.:	ABC3D22E27 (1)
Weight, g/mol:	468.229204
ΔH_f, kcal/mol:	3.69
Dipole, Da:	2.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755397
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorobenzoyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CC(C[NH+]1C2CC3=CC=CC=C3C2)NCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations