Geometry & MOs

Info

ID:	199256
PubChem CID:	79223836
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	247.139471
ΔH_f, kcal/mol:	-73.97
Dipole, Da:	3.41
IP(EA), eV:	-8.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CCC1(C(=O)N(CC(=O)N1)CCSC2=CC=CC=C2)C

DOS

IR

Vibrations