Geometry & MOs

Info

ID:	200717
PubChem CID:	79431166
Reduced:	BrClON2C16H20 (1)
Stoich.:	ABCD2E16F20 (1)
Weight, g/mol:	281.07791
ΔH_f, kcal/mol:	-19.25
Dipole, Da:	1.41
IP(EA), eV:	-9.27(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenyl)-4-propan-2-ylpiperidine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Cl)CC(CO)C2=CC(=CC=C2)Br)CC

DOS

IR

Vibrations