Geometry & MOs

Info

ID:	156081
PubChem CID:	56369057
Reduced:	SN2O4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	435.263425
ΔH_f, kcal/mol:	-146.16
Dipole, Da:	8.36
IP(EA), eV:	-8.59(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylphenyl)acetyl]-N-[(2-piperidin-1-ylpyridin-3-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)CCCOC3=CC=CC=C3C

DOS

IR

Vibrations