Geometry & MOs

Info

ID:	157115
PubChem CID:	56422153
Reduced:	FINO3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	375.134969
ΔH_f, kcal/mol:	-136.7
Dipole, Da:	5.47
IP(EA), eV:	-9.45(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2OCCO2)C(=O)C3=C(C=C(C=C3)F)I

DOS

IR

Vibrations