Geometry & MOs

Info

ID:	68908
PubChem CID:	46511526
Reduced:	N2O3H22C25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	307.080435
ΔH_f, kcal/mol:	-41.08
Dipole, Da:	6.17
IP(EA), eV:	-9.41(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C

DOS

IR

Vibrations