Geometry & MOs

Info

ID:	49792
PubChem CID:	11533833
Reduced:	ClO2N4C31H33 (1)
Stoich.:	AB2C4D31E33 (1)
Weight, g/mol:	528.240437
ΔH_f, kcal/mol:	-10.04
Dipole, Da:	4.04
IP(EA), eV:	-9.02(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3)N(C4CCNCC4)C(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations