Geometry & MOs

Info

ID:	324518
PubChem CID:	126677804
Reduced:	N7C20H21 (1)
Stoich.:	A7B20C21 (1)
Weight, g/mol:	309.083744
ΔH_f, kcal/mol:	127.38
Dipole, Da:	4.66
IP(EA), eV:	-8.3(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC(=C3C=N2)CC4=CC(=NC(=C4N)NN)N

DOS

IR

Vibrations