Geometry & MOs

Info

ID:	339798
PubChem CID:	127261807
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	196.084792
ΔH_f, kcal/mol:	-10.95
Dipole, Da:	3.69
IP(EA), eV:	-8.63(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]12CCCON1O[C@H](C2)C3=CC=CC=C3

DOS

IR

Vibrations