Geometry & MOs

Info

ID:	191725
PubChem CID:	78182089
Reduced:	NO5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	351.183444
ΔH_f, kcal/mol:	-159.53
Dipole, Da:	3.4
IP(EA), eV:	-9.0(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-7-phenyl-3,3a,6,7-tetrahydro-2H-[1,2]oxazolo[3,2-c][1,4]oxazin-4-one

Drug info:

PubChemData

Smile

C1C2C(CC3C1OCO3)NC(CC2=O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations