Geometry & MOs

Info

ID:	129596
PubChem CID:	51073242
Reduced:	ON3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	320.155849
ΔH_f, kcal/mol:	-36.45
Dipole, Da:	2.75
IP(EA), eV:	-8.55(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)CCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations