Geometry & MOs

Info

ID:	267007
PubChem CID:	103580430
Reduced:	BrClON2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	303.9978
ΔH_f, kcal/mol:	-40.37
Dipole, Da:	0.93
IP(EA), eV:	-8.64(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-bromo-3-chloropyridin-2-yl)amino]methyl]cyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1(CN(CC(O1)(C)C)C2=C(C=C(C=N2)Br)Cl)C

DOS

IR

Vibrations