Geometry & MOs

Info

ID:	383585
PubChem CID:	134975381
Reduced:	SC23H28 (1)
Stoich.:	AB23C28 (1)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	19.16
Dipole, Da:	1.07
IP(EA), eV:	-8.44(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4'-(3-hydroxybutyl)spiro[1,3-dioxolane-2,6'-tricyclo[6.2.1.02,7]undec-9-ene]-3'-one

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=C(C2=CC=CC=C2S1)C3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations