Geometry & MOs

Info

ID:	266996
PubChem CID:	103580344
Reduced:	BrClON2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	291.9978
ΔH_f, kcal/mol:	-33.21
Dipole, Da:	4.24
IP(EA), eV:	-8.59(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-bromo-3-chloropyridin-2-yl)amino]pentan-1-ol

Drug info:

PubChemData

Smile

CC1(CCCO1)CNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations