Geometry & MOs

Info

ID:	413480
PubChem CID:	135086429
Reduced:	ClOH9C10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	182.094294
ΔH_f, kcal/mol:	21.5
Dipole, Da:	2.77
IP(EA), eV:	-9.01(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,5R)-7-methylidene-5-[(E)-prop-1-enyl]-1,6-dioxaspiro[2.5]octan-4-ol

Drug info:

PubChemData

Smile

C=C=COCC1=CC=C(C=C1)Cl

DOS

IR

Vibrations