Geometry & MOs

Info

ID:	324192
PubChem CID:	126677105
Reduced:	ClO2F3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	501.21562
ΔH_f, kcal/mol:	-219.8
Dipole, Da:	4.12
IP(EA), eV:	-8.79(-0.59)
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]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)C(F)(F)F)OC)O

DOS

IR

Vibrations