Geometry & MOs

Info

ID:	373620
PubChem CID:	131317968
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	231.986197
ΔH_f, kcal/mol:	-56.87
Dipole, Da:	4.03
IP(EA), eV:	-8.19(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-1-benzothiophene-2,6-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)OC)[C@@H](CO)N

DOS

IR

Vibrations