Geometry & MOs

Info

ID:	23185
PubChem CID:	602733
Reduced:	OC6N6H10 (1)
Stoich.:	AB6C6D10 (1)
Weight, g/mol:	182.091609
ΔH_f, kcal/mol:	52.65
Dipole, Da:	4.25
IP(EA), eV:	-9.14(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C2N(NCNN2C1=O)C

DOS

IR

Vibrations