Geometry & MOs

Info

ID:	257434
PubChem CID:	103146126
Reduced:	O2F3N3C12H18 (1)
Stoich.:	A2B3C3D12E18 (1)
Weight, g/mol:	247.113233
ΔH_f, kcal/mol:	-206.21
Dipole, Da:	4.18
IP(EA), eV:	-9.47(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1(CCCC1N)C2=NC(=NO2)CCOCC(F)(F)F

DOS

IR

Vibrations