Geometry & MOs

Info

ID:	270857
PubChem CID:	103638443
Reduced:	OF2N4C12H12 (1)
Stoich.:	AB2C4D12E12 (1)
Weight, g/mol:	395.04946
ΔH_f, kcal/mol:	-66.54
Dipole, Da:	5.57
IP(EA), eV:	-10.05(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-iodo-3-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)C2=C(C(=CC=C2)F)F

DOS

IR

Vibrations