Geometry & MOs

Info

ID:	199210
PubChem CID:	79218122
Reduced:	OCl2N3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	291.108171
ΔH_f, kcal/mol:	-0.82
Dipole, Da:	4.53
IP(EA), eV:	-8.95(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1CN)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations