Geometry & MOs

Info

ID:	396326
PubChem CID:	135028065
Reduced:	O3C18H20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	422.172939
ΔH_f, kcal/mol:	-99.62
Dipole, Da:	3.4
IP(EA), eV:	-9.59(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)CO

DOS

IR

Vibrations