Geometry & MOs

Info

ID:	373706
PubChem CID:	131319023
Reduced:	N2C3H3 (2)
Stoich.:	A2B3C3 (2)
Weight, g/mol:	238.046379
ΔH_f, kcal/mol:	79.57
Dipole, Da:	8.02
IP(EA), eV:	-9.67(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-ethyl-4-fluoro-1-benzothiophen-2-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(N=N1)C#N)N

DOS

IR

Vibrations