Geometry & MOs

Info

ID:	32272
PubChem CID:	6436266
Reduced:	ON2C20H24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	238.156895
ΔH_f, kcal/mol:	75.16
Dipole, Da:	3.55
IP(EA), eV:	-8.44(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-8-hydroxynon-1-enyl]-4-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

C/C=C\1/CN2[C@H]3C[C@@H]1[C@H]4[C@@H]2C[C@@]5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O

DOS

IR

Vibrations