Geometry & MOs

Info

ID:	209493
PubChem CID:	80679916
Reduced:	BrClFN2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	233.07791
ΔH_f, kcal/mol:	-17.43
Dipole, Da:	1.51
IP(EA), eV:	-8.99(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-1-(2-methylpropyl)piperidine

Drug info:

PubChemData

Smile

CN(CC1CC(C1)Br)C2=C(C=C(C=N2)Cl)F

DOS

IR

Vibrations