Geometry & MOs

Info

ID:	127078
PubChem CID:	50990100
Reduced:	O6C21H32 (1)
Stoich.:	A6B21C32 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	-307.81
Dipole, Da:	3.17
IP(EA), eV:	-10.14(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R,7Z,9R)-9-hydroxy-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

Drug info:

PubChemData

Smile

C[C@]12C[C@H]([C@H](C[C@@H]1CC[C@@H]3C2[C@H]4CC5([C@H]3CC[C@H]5C(=O)CO)C(O4)O)O)O

DOS

IR

Vibrations