Geometry & MOs

Info

ID:	267514
PubChem CID:	103582491
Reduced:	BrClN2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	316.03419
ΔH_f, kcal/mol:	-4.53
Dipole, Da:	2.92
IP(EA), eV:	-8.73(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(1-cyclohexylethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CCCCC(C)NC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations