Geometry & MOs

Info

ID:	178694
PubChem CID:	76368935
Reduced:	N3O3C32H33 (1)
Stoich.:	A3B3C32D33 (1)
Weight, g/mol:	298.214409
ΔH_f, kcal/mol:	-63.94
Dipole, Da:	6.92
IP(EA), eV:	-8.6(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-undecyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N(C)C2CC3C4=C(CCN3C(=O)C2C(C)O)C5=C(N4)C(=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations