Geometry & MOs

Info

ID:	339799
PubChem CID:	127261808
Reduced:	N2O3C9H12 (1)
Stoich.:	A2B3C9D12 (1)
Weight, g/mol:	168.089878
ΔH_f, kcal/mol:	-45.8
Dipole, Da:	1.61
IP(EA), eV:	-9.93(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations