Geometry & MOs

Info

ID:	324545
PubChem CID:	126677876
Reduced:	ON2H28C50 (1)
Stoich.:	AB2C28D50 (1)
Weight, g/mol:	241.132746
ΔH_f, kcal/mol:	217.48
Dipole, Da:	1.57
IP(EA), eV:	-7.93(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-methylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C4=CC=CC=C4C5=C3C6=C(C=C5)C7=C(N6C8=CC9=C(C=C8)C1=CC=CC2=C1C9=CC=C2)C1=C(C=C7)C2=CC=CC=C2O1

DOS

IR

Vibrations