Geometry & MOs

Info

ID:	293256
PubChem CID:	117379008
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-154.13
Dipole, Da:	7.06
IP(EA), eV:	-8.95(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-carboxy-2-methylpropyl)-4,5-dimethylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2(CCC2)C(=O)O)OC)OC

DOS

IR

Vibrations