Geometry & MOs

Info

ID:	157114
PubChem CID:	56422150
Reduced:	NO7C19H25 (1)
Stoich.:	AB7C19D25 (1)
Weight, g/mol:	405.02372
ΔH_f, kcal/mol:	-265.87
Dipole, Da:	5.31
IP(EA), eV:	-8.91(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCCCC2C3OCCO3)OCC(=O)OC

DOS

IR

Vibrations