Geometry & MOs

Info

ID:	18639
PubChem CID:	545024
Reduced:	ON6C10H18 (1)
Stoich.:	AB6C10D18 (1)
Weight, g/mol:	238.154209
ΔH_f, kcal/mol:	32.37
Dipole, Da:	5.75
IP(EA), eV:	-8.84(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(NN(C2=NN=C(C(=O)N2N1)C)C)CC

DOS

IR

Vibrations