Geometry & MOs

Info

ID:	168836
PubChem CID:	75025669
Reduced:	NO4C27H33 (1)
Stoich.:	AB4C27D33 (1)
Weight, g/mol:	556.220951
ΔH_f, kcal/mol:	-113.05
Dipole, Da:	3.27
IP(EA), eV:	-8.73(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-hydroxyhexyl)-3-[2-[5-oxo-3,4-bis(phenylmethoxy)furan-2-ylidene]ethyl]furo[2,3-d]pyrimidin-2-one

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CC2=CC(=CC=C2)C3=COC4CC(C(CC4C3=O)OC)OC

DOS

IR

Vibrations