Geometry & MOs

Info

ID:	380859
PubChem CID:	134971433
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	340.167459
ΔH_f, kcal/mol:	-99.39
Dipole, Da:	4.83
IP(EA), eV:	-10.16(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,9S,13S)-4,4-dimethyl-1-propan-2-yl-17,18-dioxapentacyclo[11.3.1.15,9.02,12.03,10]octadeca-3(10),6,14-triene-8,16-dione

Drug info:

PubChemData

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C[C@@H]1CCCC2[C@H]3[C@@H](C1=O)CC([C@H]3OC2=O)(C)C

DOS

IR

Vibrations