Geometry & MOs

Info

ID:	182340
PubChem CID:	76876728
Reduced:	OSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	289.130065
ΔH_f, kcal/mol:	24.64
Dipole, Da:	4.32
IP(EA), eV:	-8.68(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-[[2-(methoxymethyl)phenyl]methylimino]-2,4-dimethyl-1,2,4-triazin-2-ium-3,5-dione

Drug info:

PubChemData

Smile

CC(CN1C(=O)C2C=CC=CC2=NC1=S)N(C)C

DOS

IR

Vibrations