Geometry & MOs

Info

ID:	49107
PubChem CID:	11528718
Reduced:	OC7H14 (2)
Stoich.:	AB7C14 (2)
Weight, g/mol:	228.03017
ΔH_f, kcal/mol:	-144.76
Dipole, Da:	2.8
IP(EA), eV:	-9.6(2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6R)-3-(4-chlorophenyl)-5,6-dihydro-2H-1,2,4-oxadiazine-5,6-diol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](C(C1)OCCCCO)C(C)C

DOS

IR

Vibrations