Geometry & MOs

Info

ID:	373278
PubChem CID:	131312611
Reduced:	ON2H12C13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	235.030314
ΔH_f, kcal/mol:	19.65
Dipole, Da:	6.13
IP(EA), eV:	-8.86(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-7-nitro-1-benzothiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1NC=C2)C(=O)CCC#N

DOS

IR

Vibrations