Geometry & MOs

Info

ID:	189458
PubChem CID:	77860775
Reduced:	NOC24H27 (1)
Stoich.:	ABC24D27 (1)
Weight, g/mol:	336.112837
ΔH_f, kcal/mol:	18.85
Dipole, Da:	1.32
IP(EA), eV:	-8.48(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3'-[3-(4-chlorophenyl)-1-hydroxyprop-1-enyl]spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CCCC=C2C=CC3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations