Geometry & MOs

Info

ID:	45736
PubChem CID:	10517199
Reduced:	OC4H7 (4)
Stoich.:	AB4C7 (4)
Weight, g/mol:	284.17763
ΔH_f, kcal/mol:	-168.11
Dipole, Da:	2.07
IP(EA), eV:	-8.96(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,11R,12S,15S,16S)-15-hydroxy-16-methyltetracyclo[9.7.0.02,8.012,16]octadeca-2,4,7-trien-6-one

Drug info:

PubChemData

Smile

CC[C@@H](CO)[C@@H]1[C@H](C[C@H](C(O1)(C=C=COC)OC)C)C

DOS

IR

Vibrations