Geometry & MOs

Info

ID:	46146
PubChem CID:	10522506
Reduced:	NOCl2H19C20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	360.111007
ΔH_f, kcal/mol:	0.14
Dipole, Da:	5.48
IP(EA), eV:	-9.42(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'R,4R,4'S,6'R)-6'-(4-nitrophenyl)-2-phenylspiro[1,3-oxazole-4,5'-bicyclo[2.2.1]hept-2-ene]-5-one

Drug info:

PubChemData

Smile

CCN1[C@H](C2=CC=CC=C2C1=O)C(CC=C)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations