Geometry & MOs

Info

ID:	183405
PubChem CID:	77019174
Reduced:	N4O4C13H16 (1)
Stoich.:	A4B4C13D16 (1)
Weight, g/mol:	296.104003
ΔH_f, kcal/mol:	-78.88
Dipole, Da:	10.23
IP(EA), eV:	-8.78(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-chloro-6-(ethylamino)pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)[N+](=O)[O-])CN2C(=O)CCN(C2=O)C

DOS

IR

Vibrations