Geometry & MOs

Info

ID:	296656
PubChem CID:	117587540
Reduced:	OC12H18 (2)
Stoich.:	AB12C18 (2)
Weight, g/mol:	515.912381
ΔH_f, kcal/mol:	-117.17
Dipole, Da:	1.98
IP(EA), eV:	-9.29(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1,2-dichloropropan-1-ol;(1S,2R)-1,2-dichloropropan-1-ol;(1R,2S)-1,2-dichloropropan-1-ol;(1S,2S)-1,2-dichloropropan-1-ol

Drug info:

PubChemData

Smile

CCCCCCCCOC(=O)[C@@H]1CC=C([C@H]([C@H]1C)CC)C2=CC=CC=C2

DOS

IR

Vibrations