Geometry & MOs

Info

ID:	28051
PubChem CID:	825328
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	279.092915
ΔH_f, kcal/mol:	-59.72
Dipole, Da:	5.99
IP(EA), eV:	-9.3(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR)-3-(benzenesulfonyl)-2-methyl-4,5,6,7-tetrahydro-3aH-[1,2]oxazolo[2,3-a]pyridine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C#N)C)C

DOS

IR

Vibrations