Geometry & MOs

Info

ID:	309942
PubChem CID:	126568919
Reduced:	FON2H9C10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	284.125988
ΔH_f, kcal/mol:	-78.19
Dipole, Da:	3.37
IP(EA), eV:	-9.32(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylprop-2-enoyloxy)-2-[2-(2-methylprop-2-enoyloxy)ethyl]butanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=C(C=NC=C2)/C=C/C(=O)NCC3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations