Geometry & MOs

Info

ID:	408859
PubChem CID:	135081629
Reduced:	ClNF3C8H15 (1)
Stoich.:	ABC3D8E15 (1)
Weight, g/mol:	383.9081
ΔH_f, kcal/mol:	-188.58
Dipole, Da:	3.92
IP(EA), eV:	-9.58(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2,8-dibromo-1,7-dichloro-2,6-dimethyloctan-3-ol

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(C(F)Cl)(F)F

DOS

IR

Vibrations