Geometry & MOs

Info

ID:	324194
PubChem CID:	126677111
Reduced:	OC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	499.19997
ΔH_f, kcal/mol:	-54.64
Dipole, Da:	3.37
IP(EA), eV:	-8.88(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1CCOC3=CC=CC(=C3)CO

DOS

IR

Vibrations