Geometry & MOs

Info

ID:	373352
PubChem CID:	131313761
Reduced:	FINO2C9H9 (1)
Stoich.:	ABCD2E9F9 (1)
Weight, g/mol:	215.040485
ΔH_f, kcal/mol:	-102.18
Dipole, Da:	4.29
IP(EA), eV:	-9.27(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-4-formyl-1-benzothiophene-5-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(C=C1I)F)N

DOS

IR

Vibrations