Geometry & MOs

Info

ID:	404523
PubChem CID:	135066586
Reduced:	F3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	400.182715
ΔH_f, kcal/mol:	-313.89
Dipole, Da:	5.86
IP(EA), eV:	-9.79(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R,7R)-2,2,6,7-tetraphenyl-3-oxabicyclo[4.1.0]hept-4-ene

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1C[C@@]1(/C=C/C2=CC=C(C=C2)C(F)(F)F)C(=O)OC(C)(C)C

DOS

IR

Vibrations