Geometry & MOs

Info

ID:	292401
PubChem CID:	115001284
Reduced:	ON4C12H22 (1)
Stoich.:	AB4C12D22 (1)
Weight, g/mol:	238.042152
ΔH_f, kcal/mol:	-46.56
Dipole, Da:	3.54
IP(EA), eV:	-8.71(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)(CO)NC2=C(NC(=N2)C)N

DOS

IR

Vibrations