Geometry & MOs

Info

ID:	375259
PubChem CID:	131485246
Reduced:	SN2C9H10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	178.05647
ΔH_f, kcal/mol:	53.47
Dipole, Da:	2.42
IP(EA), eV:	-8.25(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetonitrile

Drug info:

PubChemData

Smile

CN1C(=CC=C1N)C2=CC=CS2

DOS

IR

Vibrations