Geometry & MOs

Info

ID:	294466
PubChem CID:	117462449
Reduced:	ClO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	286.097187
ΔH_f, kcal/mol:	-173.66
Dipole, Da:	4.6
IP(EA), eV:	-8.84(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2,5-dimethoxy-4-methylphenyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CC(C)(C)C(=O)O)Cl)OC)OC

DOS

IR

Vibrations