Geometry & MOs

Info

ID:	130962
PubChem CID:	51136310
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	434.230453
ΔH_f, kcal/mol:	-109.25
Dipole, Da:	3.72
IP(EA), eV:	-8.91(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one

Drug info:

PubChemData

Smile

CCC(C)/C=C(\C)/C=C/C1=CC(=C(C(=C1C=O)O)C)O

DOS

IR

Vibrations