Geometry & MOs

Info

ID:	12203
PubChem CID:	132267
Reduced:	O5C23H24 (1)
Stoich.:	A5B23C24 (1)
Weight, g/mol:	380.162374
ΔH_f, kcal/mol:	-154.81
Dipole, Da:	2.76
IP(EA), eV:	-8.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,7-bis(but-2-en-2-yl)-3,9-dihydroxy-4,10-dimethylbenzo[b][1,4]benzodioxepin-6-one

Drug info:

PubChemData

Smile

CC=C(C)C1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=CC(=C3C)O)C(=CC)C)C)O

DOS

IR

Vibrations