Geometry & MOs

Info

ID:	183336
PubChem CID:	77009708
Reduced:	O2N4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	276.072177
ΔH_f, kcal/mol:	38.25
Dipole, Da:	2.87
IP(EA), eV:	-8.53(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-6-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazolidin-5-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C2NC(NO2)C3=NC=CN=C3)C(=O)C=C1

DOS

IR

Vibrations