Geometry & MOs

Info

ID:	406459
PubChem CID:	135077671
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	335.188529
ΔH_f, kcal/mol:	-83.57
Dipole, Da:	2.36
IP(EA), eV:	-9.66(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6R,7aS)-6-benzyl-7a-phenyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@]2(N(C1=O)[C@H](CO2)C(C)C)C3=CC=CC=C3

DOS

IR

Vibrations