Geometry & MOs

Info

ID:	293907
PubChem CID:	117414505
Reduced:	F3O4C11H11 (1)
Stoich.:	A3B4C11D11 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	-323.59
Dipole, Da:	6.2
IP(EA), eV:	-9.56(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-(4-propan-2-yl-1,3-benzodioxol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1O)O)C(F)(F)F)CCCC(=O)O

DOS

IR

Vibrations