Geometry & MOs

Info

ID:	39852
PubChem CID:	8142572
Reduced:	N3O6H11C20 (1)
Stoich.:	A3B6C11D20 (1)
Weight, g/mol:	345.132471
ΔH_f, kcal/mol:	30.62
Dipole, Da:	7.25
IP(EA), eV:	-9.38(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(4-methoxyanilino)methylidene]-1-[[(2R)-oxolan-2-yl]methyl]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=N/C(=C/C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])/C(=O)O3

DOS

IR

Vibrations