Geometry & MOs

Info

ID:	191902
PubChem CID:	78199627
Reduced:	N2O3H8C9 (1)
Stoich.:	A2B3C8D9 (1)
Weight, g/mol:	321.168856
ΔH_f, kcal/mol:	54.38
Dipole, Da:	6.25
IP(EA), eV:	-9.81(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-[2-(3,4-diethoxyphenyl)ethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC2C(=NC(=O)C=[N+]2[O-])C=C1

DOS

IR

Vibrations