Geometry & MOs

Info

ID:	181541
PubChem CID:	76759127
Reduced:	FO3N4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	288.157288
ΔH_f, kcal/mol:	-84.12
Dipole, Da:	2.96
IP(EA), eV:	-9.01(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(4-hydroxy-2-methylbutan-2-yl) but-2-enedioate

Drug info:

PubChemData

Smile

C1COCC(C1NC2=C(C3=C(C(=N2)C4=COC5=CC=CC=C54)C(=O)NC3)F)N

DOS

IR

Vibrations