Geometry & MOs

Info

ID:	293306
PubChem CID:	117383799
Reduced:	FO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	252.136159
ΔH_f, kcal/mol:	-176.63
Dipole, Da:	7.78
IP(EA), eV:	-9.55(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dimethoxy-5,6-dimethylphenyl)butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)C2(CCCCC2)C(=O)O)O

DOS

IR

Vibrations