Geometry & MOs

Info

ID:	323906
PubChem CID:	126676516
Reduced:	ON7C20H25 (1)
Stoich.:	AB7C20D25 (1)
Weight, g/mol:	458.215427
ΔH_f, kcal/mol:	49.05
Dipole, Da:	4.68
IP(EA), eV:	-8.2(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNC[C@@H]1OC2=CC=CC(=C2)CN3C=C(C=N3)CC4=CC(=NC(=C4N)N)N

DOS

IR

Vibrations