Geometry & MOs

Info

ID:	267005
PubChem CID:	103580411
Reduced:	BrClO2N3C11H13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	318.01345
ΔH_f, kcal/mol:	-62.3
Dipole, Da:	2.8
IP(EA), eV:	-8.78(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[(5-bromo-3-chloropyridin-2-yl)amino]methyl]cyclopentyl]methanol

Drug info:

PubChemData

Smile

COC(=O)NC1CCN(C1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations