Geometry & MOs

Info

ID:	15932
PubChem CID:	455524
Reduced:	O5C23H24 (1)
Stoich.:	A5B23C24 (1)
Weight, g/mol:	380.162374
ΔH_f, kcal/mol:	-163.84
Dipole, Da:	3.85
IP(EA), eV:	-8.6(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[1-(4-methoxyphenyl)-3-oxobutyl]-8-propan-2-ylchromen-4-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC2=C1OC(=C(C2=O)C(CC(=O)C)C3=CC=C(C=C3)OC)O

DOS

IR

Vibrations