Geometry & MOs

Info

ID:	52477
PubChem CID:	12015354
Reduced:	NOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	347.060864
ΔH_f, kcal/mol:	11.65
Dipole, Da:	2.16
IP(EA), eV:	-9.35(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopenta-1,3-diene;(4R,5R)-4-cyclopenta-2,4-dien-1-yl-5-phenyl-1,3-oxazolidin-2-one;iron(2+)

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]([C@@H](C2C=CC=C2)N)O

DOS

IR

Vibrations