Geometry & MOs

Info

ID:	408092
PubChem CID:	135080847
Reduced:	O3C8H10 (1)
Stoich.:	A3B8C10 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-108.94
Dipole, Da:	3.6
IP(EA), eV:	-9.63(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1R)-1-(4-methoxyanilino)ethyl]-2H-furan-5-one

Drug info:

PubChemData

Smile

C1[C@@H](COC1O)C2=CC=CO2

DOS

IR

Vibrations