Geometry & MOs

Info

ID:	355747
PubChem CID:	127290599
Reduced:	ClON4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	380.117067
ΔH_f, kcal/mol:	-3.92
Dipole, Da:	6.03
IP(EA), eV:	-8.85(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(C)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations