Geometry & MOs

Info

ID:	293261
PubChem CID:	117379527
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-154.62
Dipole, Da:	6.7
IP(EA), eV:	-8.82(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-(2-methyl-6-propan-2-yloxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations