Geometry & MOs

Info

ID:	199211
PubChem CID:	79218165
Reduced:	NSH17C19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	291.108171
ΔH_f, kcal/mol:	67.44
Dipole, Da:	4.8
IP(EA), eV:	-8.45(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2S1)CC3(CC4=CC=CC=C4C3)C#N

DOS

IR

Vibrations