Geometry & MOs

Info

ID:	45983
PubChem CID:	10520021
Reduced:	N4O4C15H24 (1)
Stoich.:	A4B4C15D24 (1)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	-113.88
Dipole, Da:	5.19
IP(EA), eV:	-10.04(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4aS,6R,8aR)-2,6-bis(4-methylphenyl)-1,2,4,4a,5,6,8,8a-octahydro-[1,3]oxazino[5,4-d][1,3]oxazine

Drug info:

PubChemData

Smile

CC(C)[C@@]1(C(=O)O[C@@H](N1C(=O)OCC=C)C(C)(C)C)CN=[N+]=[N-]

DOS

IR

Vibrations