Geometry & MOs

Info

ID:	436038
PubChem CID:	135193466
Reduced:	F3O3N5C24H32 (1)
Stoich.:	A3B3C5D24E32 (1)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	-132.86
Dipole, Da:	6.2
IP(EA), eV:	-8.16(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(4-ethylphenyl)-2-methylpropanedioate

Drug info:

PubChemData

Smile

COCCN(CCOC)C1CC2(C1CC2)N3C=C(N=C3C4CC4)C5=CC(=C(N=C5)N)OC(F)(F)F

DOS

IR

Vibrations