Geometry & MOs

Info

ID:	382623
PubChem CID:	134973891
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	274.084124
ΔH_f, kcal/mol:	-92.55
Dipole, Da:	2.73
IP(EA), eV:	-9.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-4-methoxy-5-[methoxy-[(2S,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one

Drug info:

PubChemData

Smile

CC1(OCCO1)CC(C[N+](=O)[O-])C2=CC=CC=C2

DOS

IR

Vibrations