Geometry & MOs

Info

ID:	323598
PubChem CID:	126675548
Reduced:	ClO2N5C20H24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	389.121193
ΔH_f, kcal/mol:	-18.45
Dipole, Da:	4.34
IP(EA), eV:	-8.35(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=C(N=CC(=C1)/C(=C/N)/C=NC)N)OCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations