Geometry & MOs

Info

ID:	324025
PubChem CID:	126676781
Reduced:	ClPN3O9C25H29 (1)
Stoich.:	ABC3D9E25F29 (1)
Weight, g/mol:	373.126278
ΔH_f, kcal/mol:	-424.93
Dipole, Da:	7.54
IP(EA), eV:	-8.94(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=O)NC2=O)Cl)O)OC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations