Geometry & MOs

Info

ID:	276441
PubChem CID:	103823298
Reduced:	OSN4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	269.148789
ΔH_f, kcal/mol:	-20.12
Dipole, Da:	5.9
IP(EA), eV:	-8.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]-N,2,2-trimethylpropanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)NCC(C)(C)C(=O)NC)C

DOS

IR

Vibrations