Geometry & MOs

Info

ID:	292402
PubChem CID:	115001287
Reduced:	ClFN4H8C10 (1)
Stoich.:	ABC4D8E10 (1)
Weight, g/mol:	238.042152
ΔH_f, kcal/mol:	35.01
Dipole, Da:	6.33
IP(EA), eV:	-9.46(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(5-fluoro-2-methylphenyl)-1,2,4-triazin-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC2=CN=NC(=N2)Cl

DOS

IR

Vibrations