Geometry & MOs

Info

ID:	390319
PubChem CID:	134998461
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	11.85
Dipole, Da:	3.21
IP(EA), eV:	-8.9(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (3S,3aR,6aS)-3-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2N([C]ON2CC3=CC=CC=C3)C4CCCCC4

DOS

IR

Vibrations