Geometry & MOs

Info

ID:	9724
PubChem CID:	92638
Reduced:	OSN4C12H20 (1)
Stoich.:	ABC4D12E20 (1)
Weight, g/mol:	268.135782
ΔH_f, kcal/mol:	5.49
Dipole, Da:	2.85
IP(EA), eV:	-9.0(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-4-(2-methylpropylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

CC(C)C=NN1C(=O)C(=NN=C1SC)C(C)(C)C

DOS

IR

Vibrations