Geometry & MOs

Info

ID:	174634
PubChem CID:	75799361
Reduced:	O3N4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	265.130065
ΔH_f, kcal/mol:	-7.28
Dipole, Da:	4.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.313846
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N=C2C(=O)N(C(=O)[N+](=N2)CC=C)CC=C

DOS

IR

Vibrations