Geometry & MOs

Info

ID:	28424
PubChem CID:	827480
Reduced:	NO3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	278.13068
ΔH_f, kcal/mol:	-12.67
Dipole, Da:	2.28
IP(EA), eV:	-9.69(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S)-8,8-diphenyl-2-oxabicyclo[4.2.0]octan-7-one

Drug info:

PubChemData

Smile

COC(=O)C1=C(ON=C1C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations