Geometry & MOs

Info

ID:	184709
PubChem CID:	77195029
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	487.257003
ΔH_f, kcal/mol:	-102.92
Dipole, Da:	6.88
IP(EA), eV:	-9.15(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

C1CC(CCC1CCN2CC3COC4=C(C3C2)C=C(C=C4)C#N)NC(=O)O

DOS

IR

Vibrations