Geometry & MOs

Info

ID:	383315
PubChem CID:	134974960
Reduced:	ON3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	15.17
Dipole, Da:	3.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756452
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[2-(5-ethylfuran-2-yl)ethyl]-4-(methoxymethoxy)-3,5-dimethylfuran-2-one

Drug info:

PubChemData

Smile

CC1(CCCC(N1[O])(C)C2=NC3=CC=CC=C3N2)C

DOS

IR

Vibrations