Geometry & MOs

Info

ID:	45960
PubChem CID:	10519681
Reduced:	ON3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	30.3
Dipole, Da:	12.23
IP(EA), eV:	-8.75(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl (2S,4E)-5-oxo-4-prop-2-ynylidenepyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1C2=CC=C(C=C2)N(C)C)C)C3=CC=CC=C3

DOS

IR

Vibrations