Geometry & MOs

Info

ID:	158399
PubChem CID:	56463568
Reduced:	SO2N4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	400.283826
ΔH_f, kcal/mol:	-51.35
Dipole, Da:	1.92
IP(EA), eV:	-8.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butanoyl-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations