Geometry & MOs

Info

ID:	271772
PubChem CID:	103691263
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	307.1606
ΔH_f, kcal/mol:	-162.38
Dipole, Da:	6.9
IP(EA), eV:	-9.1(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxycyclohexyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNC(=O)C2=C3C(=CC=C2)OCCO3

DOS

IR

Vibrations