Geometry & MOs

Info

ID:	166433
PubChem CID:	74688918
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	381.108661
ΔH_f, kcal/mol:	-144.64
Dipole, Da:	10.19
IP(EA), eV:	-9.03(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[1-(2-methoxyethyl)-2-(2-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene]-phenylmethanolate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CCOC)C)C=C(C#N)C(=O)OCC(=O)NC(C)C(C)C

DOS

IR

Vibrations