Geometry & MOs

Info

ID:	372339
PubChem CID:	131296402
Reduced:	NSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	215.040485
ΔH_f, kcal/mol:	-28.58
Dipole, Da:	2.26
IP(EA), eV:	-9.4(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-formyl-4-methyl-1-benzothiophen-6-yl)acetonitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC2=C1C=C(S2)C=O)[N+](=O)[O-]

DOS

IR

Vibrations