Geometry & MOs

Info

ID:	176570
PubChem CID:	76066469
Reduced:	N4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	156.040916
ΔH_f, kcal/mol:	51.0
Dipole, Da:	5.69
IP(EA), eV:	-8.88(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(methoxymethyl)-1,2,4-triazin-4-ium-5,6-dione

Drug info:

PubChemData

Smile

CCC(CCN)N1C=C(N=C1)C2=CN=CC=C2

DOS

IR

Vibrations