Geometry & MOs

Info

ID:	204970
PubChem CID:	80037858
Reduced:	ON2F3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	238.121846
ΔH_f, kcal/mol:	-182.03
Dipole, Da:	8.35
IP(EA), eV:	-9.08(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC2=C(C=C(C=C2)C(F)(F)F)C#N)O

DOS

IR

Vibrations