Geometry & MOs

Info

ID:	56937
PubChem CID:	22394946
Reduced:	O2H13C16F17 (1)
Stoich.:	A2B13C16D17 (1)
Weight, g/mol:	208.073559
ΔH_f, kcal/mol:	-932.12
Dipole, Da:	3.53
IP(EA), eV:	-10.89(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-ylbenzene-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

CCCC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(=C)C

DOS

IR

Vibrations