Geometry & MOs

Info

ID:	199262
PubChem CID:	79224128
Reduced:	NSC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	222.107836
ΔH_f, kcal/mol:	-8.54
Dipole, Da:	2.72
IP(EA), eV:	-8.62(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylbutan-1-ol

Drug info:

PubChemData

Smile

CCCNC1CCC(C1C)CCSC2=CC=CC=C2

DOS

IR

Vibrations