Geometry & MOs

Info

ID:	1079
PubChem CID:	3761
Reduced:	O6H24C25 (1)
Stoich.:	A6B24C25 (1)
Weight, g/mol:	420.157288
ΔH_f, kcal/mol:	-194.47
Dipole, Da:	8.82
IP(EA), eV:	-8.65(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7,8-trihydroxy-9-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-10-one

Drug info:

PubChemData

Smile

CC(=CCC1=C(C2=C(C3=C(C4=C(C=C(C=C4)O)OC3C=C(C)C)OC2=CC1=O)O)O)C

DOS

IR

Vibrations