Geometry & MOs

Info

ID:	224288
PubChem CID:	85341134
Reduced:	ClIC9H12 (1)
Stoich.:	ABC9D12 (1)
Weight, g/mol:	283.105587
ΔH_f, kcal/mol:	52.26
Dipole, Da:	2.62
IP(EA), eV:	-9.35(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4,5-dihydroxy-6-(hydroxymethyl)oxazinane-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCC#CC=C(Cl)I

DOS

IR

Vibrations