Geometry & MOs

Info

ID:	373726
PubChem CID:	131319365
Reduced:	FN2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	192.042259
ΔH_f, kcal/mol:	-13.48
Dipole, Da:	4.25
IP(EA), eV:	-8.77(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-oxo-1-benzofuran-7-yl)acetic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)N)CC#N)F

DOS

IR

Vibrations