Geometry & MOs

Info

ID:	123384
PubChem CID:	50845389
Reduced:	O2N4C27H32 (1)
Stoich.:	A2B4C27D32 (1)
Weight, g/mol:	349.19209
ΔH_f, kcal/mol:	-30.82
Dipole, Da:	6.29
IP(EA), eV:	-8.94(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=CC(=NC=N3)OC4=CC=CC(=C4C)C

DOS

IR

Vibrations