Geometry & MOs

Info

ID:	199151
PubChem CID:	79205468
Reduced:	ClSO3H13C16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	299.134385
ΔH_f, kcal/mol:	-87.36
Dipole, Da:	6.15
IP(EA), eV:	-8.78(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2S1)COC3=C(C=CC(=C3)Cl)C(=O)O

DOS

IR

Vibrations