Geometry & MOs

Info

ID:	292387
PubChem CID:	115001250
Reduced:	ClN5C10H12 (1)
Stoich.:	AB5C10D12 (1)
Weight, g/mol:	237.012746
ΔH_f, kcal/mol:	84.92
Dipole, Da:	6.02
IP(EA), eV:	-9.58(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-(4-methylphenyl)sulfanyl-1,2,4-triazine

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C)C2=CN=NC(=N2)Cl)C

DOS

IR

Vibrations