Geometry & MOs

Info

ID:	17667
PubChem CID:	510938
Reduced:	ON5C8H9 (1)
Stoich.:	AB5C8D9 (1)
Weight, g/mol:	191.08071
ΔH_f, kcal/mol:	60.53
Dipole, Da:	1.4
IP(EA), eV:	-9.71(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7,8-trimethylpyrimido[1,2-b][1,2,4,5]tetrazin-6-one

Drug info:

PubChemData

Smile

CC1=C(N=C2N=NC(=NN2C1=O)C)C

DOS

IR

Vibrations