Geometry & MOs

Info

ID:	209462
PubChem CID:	80676345
Reduced:	BrFNOC14H17 (1)
Stoich.:	ABCDE14F17 (1)
Weight, g/mol:	301.02329
ΔH_f, kcal/mol:	-84.48
Dipole, Da:	4.85
IP(EA), eV:	-9.57(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-1-[(3-chlorophenyl)methyl]piperidine

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC=C(C=C2)F)CCCBr

DOS

IR

Vibrations