Geometry & MOs

Info

ID:	59153
PubChem CID:	24771302
Reduced:	FOH5C7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	373.155705
ΔH_f, kcal/mol:	-229.93
Dipole, Da:	4.58
IP(EA), eV:	-9.33(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(4-chloro-3-methylphenoxy)pyridin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=CC(=C2)CC(=O)O)C3=CC=C(C=C3)O)C(F)(F)F

DOS

IR

Vibrations