Geometry & MOs

Info

ID:	399317
PubChem CID:	135039622
Reduced:	FOH5C6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	186.090546
ΔH_f, kcal/mol:	-118.32
Dipole, Da:	4.34
IP(EA), eV:	-9.83(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC#CC(=O)C(C(C1=CC=CC=C1)O)(F)F

DOS

IR

Vibrations