Geometry & MOs

Info

ID:	409056
PubChem CID:	135081830
Reduced:	OC10H12 (1)
Stoich.:	AB10C12 (1)
Weight, g/mol:	402.204239
ΔH_f, kcal/mol:	-4.03
Dipole, Da:	2.23
IP(EA), eV:	-8.76(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1CC2=C1C(=CC=C2)OC

DOS

IR

Vibrations