Geometry & MOs

Info

ID:	209486
PubChem CID:	80678372
Reduced:	BrFNO2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	348.96358
ΔH_f, kcal/mol:	-118.29
Dipole, Da:	6.27
IP(EA), eV:	-9.29(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(bromomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)C(=O)N2CCC(CC2)CBr

DOS

IR

Vibrations