Geometry & MOs

Info

ID:	1896
PubChem CID:	5292
Reduced:	O5C30H42 (1)
Stoich.:	A5B30C42 (1)
Weight, g/mol:	482.303224
ΔH_f, kcal/mol:	-178.63
Dipole, Da:	2.22
IP(EA), eV:	-8.33(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-5,7-dimethoxy-3-methyl-2-(3,4,5,6,11-pentamethyltrideca-7,9,11-trienyl)chromen-4-one

Drug info:

PubChemData

Smile

CC=C(C)C=CC=CC(C)C(C)C(C)C(C)CCC1=C(C(=O)C2=C(O1)C(=C(C=C2OC)OC)O)C

DOS

IR

Vibrations