Geometry & MOs

Info

ID:	293882
PubChem CID:	117409654
Reduced:	N2O5H10C12 (1)
Stoich.:	A2B5C10D12 (1)
Weight, g/mol:	262.081679
ΔH_f, kcal/mol:	-118.19
Dipole, Da:	5.62
IP(EA), eV:	-8.57(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1C3=NNC(=C3)C(=O)O)OCO2

DOS

IR

Vibrations