Geometry & MOs

Info

ID:	216441
PubChem CID:	85086244
Reduced:	FON3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	269.126323
ΔH_f, kcal/mol:	-6.06
Dipole, Da:	4.14
IP(EA), eV:	-8.31(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(2-ethoxy-2-oxoethylidene)-5-oxopyrrolidin-1-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C2NC(NN2)C3=CC=CC=C3F)C(=O)C=C1

DOS

IR

Vibrations