Geometry & MOs

Info

ID:	37581
PubChem CID:	8022447
Reduced:	O5C17H17 (1)
Stoich.:	A5B17C17 (1)
Weight, g/mol:	302.115424
ΔH_f, kcal/mol:	-131.67
Dipole, Da:	5.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.166742
Charge, e:	0

Chem-info

IUPAC name:

2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=C)C)CC(=O)[O-]

DOS

IR

Vibrations