Geometry & MOs

Info

ID:	1188
PubChem CID:	3951
Reduced:	O5C25H28 (1)
Stoich.:	A5B25C28 (1)
Weight, g/mol:	408.193674
ΔH_f, kcal/mol:	-189.88
Dipole, Da:	2.39
IP(EA), eV:	-8.83(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)CC=C(C)C)O)C

DOS

IR

Vibrations