Geometry & MOs

Info

ID:	37582
PubChem CID:	8022448
Reduced:	O5C17H18 (1)
Stoich.:	A5B17C18 (1)
Weight, g/mol:	266.079038
ΔH_f, kcal/mol:	-182.11
Dipole, Da:	9.4
IP(EA), eV:	-9.3(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=C)C)CC(=O)O

DOS

IR

Vibrations