Geometry & MOs

Info

ID:	158725
PubChem CID:	56465227
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	484.250812
ΔH_f, kcal/mol:	-69.41
Dipole, Da:	8.46
IP(EA), eV:	-8.7(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-3-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations