Geometry & MOs

Info

ID:	266932
PubChem CID:	103580123
Reduced:	BrClON2C10H14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	331.04509
ΔH_f, kcal/mol:	-20.04
Dipole, Da:	2.81
IP(EA), eV:	-8.63(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CCN(CCOC)C1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations