Geometry & MOs

Info

ID:	272561
PubChem CID:	103747059
Reduced:	BrOF2N2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	347.03325
ΔH_f, kcal/mol:	-115.0
Dipole, Da:	4.0
IP(EA), eV:	-8.85(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2,6-difluorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCCC1CNC(=O)C2=C(C=C(C=C2F)Br)F

DOS

IR

Vibrations