Geometry & MOs

Info

ID:	24842
PubChem CID:	613885
Reduced:	OC6H6 (3)
Stoich.:	AB6C6 (3)
Weight, g/mol:	282.125594
ΔH_f, kcal/mol:	-98.83
Dipole, Da:	7.21
IP(EA), eV:	-9.7(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)acetic acid

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C(O1)(CC(=O)O)C3=CC=CC=C3)C

DOS

IR

Vibrations