Geometry & MOs

Info

ID:	7001
PubChem CID:	70952
Reduced:	SH8C9 (1)
Stoich.:	AB8C9 (1)
Weight, g/mol:	148.034671
ΔH_f, kcal/mol:	29.48
Dipole, Da:	1.02
IP(EA), eV:	-8.62(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-benzothiophene

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2S1

DOS

IR

Vibrations