Geometry & MOs

Info

ID:	372983
PubChem CID:	131307995
Reduced:	N2O3C10H10 (1)
Stoich.:	A2B3C10D10 (1)
Weight, g/mol:	295.92551
ΔH_f, kcal/mol:	-79.39
Dipole, Da:	5.68
IP(EA), eV:	-9.17(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-7-nitro-1-benzothiophen-4-yl)acetonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C(=C(C=C1)O)NC=N2

DOS

IR

Vibrations