Geometry & MOs

Info

ID:	174635
PubChem CID:	75799362
Reduced:	O3N4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	291.182101
ΔH_f, kcal/mol:	-31.61
Dipole, Da:	2.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.885018
Charge, e:	1

Chem-info

IUPAC name:

6-(2-methylpiperidin-1-yl)-2,4-bis(prop-2-enyl)-6H-1,2,4-triazin-2-ium-3,5-dione

Drug info:

PubChemData

Smile

COCCN=C1C(=O)N(C(=O)[N+](=N1)CC=C)CC=C

DOS

IR

Vibrations