Geometry & MOs

Info

ID:	46306
PubChem CID:	10523815
Reduced:	O7C20H28 (1)
Stoich.:	A7B20C28 (1)
Weight, g/mol:	380.162374
ΔH_f, kcal/mol:	-317.28
Dipole, Da:	2.68
IP(EA), eV:	-10.3(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone

Drug info:

PubChemData

Smile

C/C=C(/C)\C(=O)O[C@@H]1C2=C(C(=O)O[C@]2([C@@H]([C@@H]3[C@]1([C@H]([C@H](CC3)O)C)C)O)O)C

DOS

IR

Vibrations