Geometry & MOs

Info

ID:	323987
PubChem CID:	126676719
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	457.195026
ΔH_f, kcal/mol:	-42.61
Dipole, Da:	0.66
IP(EA), eV:	-8.95(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(CCN1)C2=CC=CC(=C2)CO

DOS

IR

Vibrations