Geometry & MOs

Info

ID:	7512
PubChem CID:	73198
Reduced:	O6C25H28 (1)
Stoich.:	A6B25C28 (1)
Weight, g/mol:	424.188589
ΔH_f, kcal/mol:	-232.72
Dipole, Da:	1.98
IP(EA), eV:	-9.05(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)O)C(=C)C)C

DOS

IR

Vibrations