Geometry & MOs

Info

ID:	293257
PubChem CID:	117379061
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-184.07
Dipole, Da:	10.98
IP(EA), eV:	-9.78(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-3-(2-hydroxy-6-methoxy-3-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)CC(C)(C)C(=O)O)C(=O)O

DOS

IR

Vibrations