Geometry & MOs

Info

ID:	139879
PubChem CID:	52610830
Reduced:	ON2C9H16 (2)
Stoich.:	AB2C9D16 (2)
Weight, g/mol:	317.14495
ΔH_f, kcal/mol:	-73.7
Dipole, Da:	5.28
IP(EA), eV:	-8.73(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)CCC(=O)NCCCCN2CCCC[C@@H]2C

DOS

IR

Vibrations