Geometry & MOs

Info

ID:	89687
PubChem CID:	49963717
Reduced:	NOSH13C15 (1)
Stoich.:	ABCD13E15 (1)
Weight, g/mol:	254.076536
ΔH_f, kcal/mol:	18.63
Dipole, Da:	3.03
IP(EA), eV:	-9.17(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophen-2-yl-(3-methylphenyl)methanol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C2=NC3=CC=CC=C3S2)O

DOS

IR

Vibrations