Geometry & MOs

Info

ID:	198026
PubChem CID:	79033668
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	239.138225
ΔH_f, kcal/mol:	25.67
Dipole, Da:	2.71
IP(EA), eV:	-9.13(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1,2-dimethylpiperidin-4-yl)amino]-2H-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)NC2=NC(=NC=C2)C

DOS

IR

Vibrations