Geometry & MOs

Info

ID:	369101
PubChem CID:	127331261
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	277.124883
ΔH_f, kcal/mol:	-44.58
Dipole, Da:	5.02
IP(EA), eV:	-8.6(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2CCCN(CC2)C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations