Geometry & MOs

Info

ID:	224418
PubChem CID:	85342742
Reduced:	O7C25H26 (1)
Stoich.:	A7B25C26 (1)
Weight, g/mol:	438.204239
ΔH_f, kcal/mol:	-262.35
Dipole, Da:	5.68
IP(EA), eV:	-8.8(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-phenylmethoxyhexyl]pyran-4-one

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)CCC(=CC(=O)CCC2=CC=C(C=C2)OC(=O)C)OC(=O)C

DOS

IR

Vibrations