Geometry & MOs

Info

ID:	397102
PubChem CID:	135029733
Reduced:	NO3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	213.136493
ΔH_f, kcal/mol:	-53.48
Dipole, Da:	3.72
IP(EA), eV:	-8.29(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,7R,7aS)-3-tert-butyl-7-hydroxy-1-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@H]2[C@@H]3C4=CC=CC=C4CCN3C2=O)OC

DOS

IR

Vibrations