Geometry & MOs

Info

ID:	223416
PubChem CID:	85335007
Reduced:	O4H20C21 (1)
Stoich.:	A4B20C21 (1)
Weight, g/mol:	338.131823
ΔH_f, kcal/mol:	-100.52
Dipole, Da:	4.69
IP(EA), eV:	-8.76(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-ethyl-6-fluoro-3-[(4-methoxyphenyl)methylidene]inden-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C1=CC3=CC=C(C=C3)OC)C=CC(=C2)OC)CC(=O)O

DOS

IR

Vibrations