Geometry & MOs

Info

ID:	373774
PubChem CID:	131319947
Reduced:	INOF3H3C8 (1)
Stoich.:	ABCD3E3F8 (1)
Weight, g/mol:	234.009913
ΔH_f, kcal/mol:	-119.73
Dipole, Da:	2.34
IP(EA), eV:	-10.2(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(hydroxymethyl)-4-nitro-1-benzothiophene-2-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1OC(F)F)C#N)I)F

DOS

IR

Vibrations