Geometry & MOs

Info

ID:	267280
PubChem CID:	103581616
Reduced:	BrClN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	330.04984
ΔH_f, kcal/mol:	11.42
Dipole, Da:	4.69
IP(EA), eV:	-8.68(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCCC(C1)NCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations