Geometry & MOs

Info

ID:	20421
PubChem CID:	583852
Reduced:	O3N5H11C13 (1)
Stoich.:	A3B5C11D13 (1)
Weight, g/mol:	285.086189
ΔH_f, kcal/mol:	-7.71
Dipole, Da:	5.75
IP(EA), eV:	-9.12(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-6-methyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

Drug info:

PubChemData

Smile

CN1C(=O)C2=NC(=NNC2=NC1=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations