Geometry & MOs

Info

ID:	339800
PubChem CID:	127261809
Reduced:	NOC4H6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	-0.9
Dipole, Da:	5.59
IP(EA), eV:	-9.06(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3aS)-3a-phenyl-3,4,5,6-tetrahydro-2H-[1,2]oxazolo[2,3-b]oxazine-2-carbonitrile

Drug info:

PubChemData

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C[C@@]12CCCON1O[C@H](C2)C#N

DOS

IR

Vibrations