Geometry & MOs

Info

ID:	369102
PubChem CID:	127331262
Reduced:	OSN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-19.88
Dipole, Da:	3.74
IP(EA), eV:	-8.55(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations