Geometry & MOs

Info

ID:	170010
PubChem CID:	75181516
Reduced:	O7C31H34 (1)
Stoich.:	A7B31C34 (1)
Weight, g/mol:	384.193674
ΔH_f, kcal/mol:	-207.57
Dipole, Da:	3.62
IP(EA), eV:	-8.72(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-3-methoxyphenyl)-7-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)hepta-1,6-diene-3,5-dione

Drug info:

PubChemData

Smile

CC1=C(C(CCC1O)(C)C)C=CC(=O)C(=CC2=CC(=C(C=C2)O)OC)C(=O)C=CC3=CC(=C(C=C3)O)OC

DOS

IR

Vibrations