Geometry & MOs

Info

ID:	267279
PubChem CID:	103581611
Reduced:	BrClON2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	316.03419
ΔH_f, kcal/mol:	-31.44
Dipole, Da:	5.65
IP(EA), eV:	-9.16(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-1-methylpiperidin-3-amine

Drug info:

PubChemData

Smile

CC(C(=O)NC)NCC1=CC(=C(C=C1)Br)Cl

DOS

IR

Vibrations