Geometry & MOs

Info

ID:	20446
PubChem CID:	584011
Reduced:	O2N6C13H14 (1)
Stoich.:	A2B6C13D14 (1)
Weight, g/mol:	286.117824
ΔH_f, kcal/mol:	55.27
Dipole, Da:	5.47
IP(EA), eV:	-9.09(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-1,7-dimethyl-2H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one

Drug info:

PubChemData

Smile

CC1=NN=C2N(NC(=NN2C1=O)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations