Geometry & MOs

Info

ID:	7583
PubChem CID:	73447
Reduced:	O5H22C23 (1)
Stoich.:	A5B22C23 (1)
Weight, g/mol:	378.146724
ΔH_f, kcal/mol:	-166.72
Dipole, Da:	4.19
IP(EA), eV:	-9.11(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,4-dihydroxy-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)O)CC2=CC=CC=C2O)O)C(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations