Geometry & MOs

Info

ID:	127881
PubChem CID:	51020963
Reduced:	O6C13H16 (1)
Stoich.:	A6B13C16 (1)
Weight, g/mol:	312.172545
ΔH_f, kcal/mol:	-245.84
Dipole, Da:	2.49
IP(EA), eV:	-9.32(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,9S)-12-methyl-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),11-trien-5-one

Drug info:

PubChemData

Smile

CO/C(=C/1\C[C@@H]2C[C@@H](C1=O)C/C(=C(\O)/OC)/C2=O)/O

DOS

IR

Vibrations