Geometry & MOs

Info

ID:	127916
PubChem CID:	51022940
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	305.105193
ΔH_f, kcal/mol:	-119.02
Dipole, Da:	2.24
IP(EA), eV:	-9.06(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=O)[C@@H]3[C@@H]4C=C[C@@]([C@H]3C2=O)(O4)CO

DOS

IR

Vibrations