Geometry & MOs

Info

ID:	257426
PubChem CID:	103146059
Reduced:	O2F3N3C10H14 (1)
Stoich.:	A2B3C3D10E14 (1)
Weight, g/mol:	303.083076
ΔH_f, kcal/mol:	-163.38
Dipole, Da:	4.8
IP(EA), eV:	-9.96(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-3-amino-6-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-1,2,4-oxadiazol-5-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CC1(CN)C2=NC(=NO2)CCOCC(F)(F)F

DOS

IR

Vibrations