Geometry & MOs

Info

ID:	266987
PubChem CID:	103580313
Reduced:	BrClN2F3H7C8 (1)
Stoich.:	ABC2D3E7F8 (1)
Weight, g/mol:	320.0291
ΔH_f, kcal/mol:	-144.23
Dipole, Da:	2.04
IP(EA), eV:	-9.16(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)NCCC(F)(F)F)Br

DOS

IR

Vibrations