Geometry & MOs

Info

ID:	315993
PubChem CID:	126629579
Reduced:	FNC10H16 (1)
Stoich.:	ABC10D16 (1)
Weight, g/mol:	219.083019
ΔH_f, kcal/mol:	-40.08
Dipole, Da:	2.95
IP(EA), eV:	-8.54(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylphenyl)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazine

Drug info:

PubChemData

Smile

CCN(CC)C1=CCC(C=C1)F

DOS

IR

Vibrations