Geometry & MOs

Info

ID:	124544
PubChem CID:	50887163
Reduced:	INO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	377.1223
ΔH_f, kcal/mol:	-37.44
Dipole, Da:	3.29
IP(EA), eV:	-8.4(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,4-diethoxy-5-nitrophenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1I)C=NC2=CC=C(C=C2)O)OC

DOS

IR

Vibrations