Geometry & MOs

Info

ID:	276085
PubChem CID:	103820442
Reduced:	FOSBr2N2H5C12 (1)
Stoich.:	ABCD2E2F5G12 (1)
Weight, g/mol:	265.147807
ΔH_f, kcal/mol:	18.27
Dipole, Da:	5.85
IP(EA), eV:	-9.46(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-2-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)F)NC(=O)C2=C(SC(=C2)Br)Br

DOS

IR

Vibrations