Geometry & MOs

Info

ID:	382271
PubChem CID:	134973325
Reduced:	SeO4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	515.246044
ΔH_f, kcal/mol:	-132.78
Dipole, Da:	3.37
IP(EA), eV:	-8.2(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4S)-2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyridin-2-ylidene]naphthalen-2-one

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC(=C1)OC)[Se]CC(C2=CC=CC=C2)OC)OCOC

DOS

IR

Vibrations