Geometry & MOs

Info

ID:	397829
PubChem CID:	135030803
Reduced:	O6C23H26 (1)
Stoich.:	A6B23C26 (1)
Weight, g/mol:	434.149616
ΔH_f, kcal/mol:	-194.98
Dipole, Da:	9.89
IP(EA), eV:	-8.42(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-chloro-1-(4,5,6,7-tetramethoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-9-yl)but-2-en-1-one

Drug info:

PubChemData

Smile

CC1C(C2=C(C3=C4C(=C(C(=C3OC)OC)OC)C(=CC(=O)C4=C2O1)C)OC)(C)C

DOS

IR

Vibrations