Geometry & MOs

Info

ID:	121992
PubChem CID:	50789074
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	435.263425
ΔH_f, kcal/mol:	-128.86
Dipole, Da:	6.16
IP(EA), eV:	-8.2(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propan-2-yl-3-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)N1CCCC(C1)C2=CC(=CC=C2)C(=O)NC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations