Geometry & MOs

Info

ID:	172296
PubChem CID:	75491193
Reduced:	N2O6H20C27 (1)
Stoich.:	A2B6C20D27 (1)
Weight, g/mol:	433.173667
ΔH_f, kcal/mol:	-127.41
Dipole, Da:	3.34
IP(EA), eV:	-8.79(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3CC(=O)OC4=C3C5=C(C=C4)C(=O)C(=CO5)C6=CC=C(C=C6)O)N(C1=O)C

DOS

IR

Vibrations