Geometry & MOs

Info

ID:	267244
PubChem CID:	103581499
Reduced:	BrClON2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	330.04984
ΔH_f, kcal/mol:	-22.04
Dipole, Da:	4.08
IP(EA), eV:	-9.39(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)CNCC1=CC(=C(C=C1)Br)Cl

DOS

IR

Vibrations