Geometry & MOs

Info

ID:	323930
PubChem CID:	126676632
Reduced:	ClN8C12H13 (1)
Stoich.:	AB8C12D13 (1)
Weight, g/mol:	373.126278
ΔH_f, kcal/mol:	124.55
Dipole, Da:	3.51
IP(EA), eV:	-8.54(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC2=NN(N=C2C=C1Cl)CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations