Geometry & MOs

Info

ID:	14880
PubChem CID:	423375
Reduced:	SN3C7H13 (1)
Stoich.:	AB3C7D13 (1)
Weight, g/mol:	171.083019
ΔH_f, kcal/mol:	37.21
Dipole, Da:	4.33
IP(EA), eV:	-8.05(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5,6-trimethyl-3-methylsulfanyl-6H-1,2,4-triazine

Drug info:

PubChemData

Smile

CC1C(=NC(=NN1C)SC)C

DOS

IR

Vibrations