Geometry & MOs

Info

ID:	45825
PubChem CID:	10517914
Reduced:	OC21H26 (1)
Stoich.:	AB21C26 (1)
Weight, g/mol:	294.102272
ΔH_f, kcal/mol:	-40.7
Dipole, Da:	2.0
IP(EA), eV:	-8.99(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-3-methoxy-1,2-dioxaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

CCC1=CC(=C2[C@@H]([C@]([C@H](C2=C1)C)(C3=CC=CC=C3)O)C)CC

DOS

IR

Vibrations