Geometry & MOs

Info

ID:	156978
PubChem CID:	56404326
Reduced:	FN3O4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	371.05323
ΔH_f, kcal/mol:	-151.42
Dipole, Da:	6.71
IP(EA), eV:	-9.48(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-fluorophenyl)-1-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)N3CCC(CC3)C4OCCO4)F

DOS

IR

Vibrations