Geometry & MOs

Info

ID:	395938
PubChem CID:	135026993
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	328.00989
ΔH_f, kcal/mol:	6.83
Dipole, Da:	1.63
IP(EA), eV:	-8.56(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R,12R)-1-(4-bromophenyl)-2-oxatricyclo[6.3.1.04,12]dodeca-5,7,10-trien-9-one

Drug info:

PubChemData

Smile

CC(C=NC1=CC=C(C=C1)OC)(C2=CC=CC=C2)OO

DOS

IR

Vibrations