Geometry & MOs

Info

ID:	393426
PubChem CID:	135020545
Reduced:	N2O2F3H15C19 (1)
Stoich.:	A2B2C3D15E19 (1)
Weight, g/mol:	400.188589
ΔH_f, kcal/mol:	-146.97
Dipole, Da:	5.22
IP(EA), eV:	-8.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-but-3-enyl-2-[3-(2-ethoxycarbonylphenyl)prop-2-ynyl]propanedioate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2C=CN(N=C2C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations