Geometry & MOs

Info

ID:	1682
PubChem CID:	4871
Reduced:	O6H24C25 (1)
Stoich.:	A6B24C25 (1)
Weight, g/mol:	420.157288
ΔH_f, kcal/mol:	-198.93
Dipole, Da:	5.33
IP(EA), eV:	-8.64(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one

Drug info:

PubChemData

Smile

CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC(=C(C=C4)O)O)C=CC(O2)(C)C)C

DOS

IR

Vibrations