Geometry & MOs

Info

ID:	394303
PubChem CID:	135022741
Reduced:	OC6H8 (3)
Stoich.:	AB6C8 (3)
Weight, g/mol:	416.09871
ΔH_f, kcal/mol:	-132.09
Dipole, Da:	3.33
IP(EA), eV:	-8.69(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3'S,4S)-6-bromo-4-ethoxy-3'-(2-phenylethyl)spiro[3,4-dihydrochromene-2,2'-oxolane]

Drug info:

PubChemData

Smile

CCO[C@H]1C[C@@]2(CC3(CCCC3)CO2)OC4=CC=CC=C14

DOS

IR

Vibrations