Geometry & MOs

Info

ID:	293299
PubChem CID:	117383370
Reduced:	FN2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	252.099774
ΔH_f, kcal/mol:	-77.62
Dipole, Da:	4.6
IP(EA), eV:	-8.92(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-formyl-2,3-dimethoxyphenyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

COCC1=C(C(=C(C=C1)C2=NOC(=C2)N)OC)F

DOS

IR

Vibrations