Geometry & MOs

Info

ID:	38644
PubChem CID:	8137324
Reduced:	N4O4C13H16 (1)
Stoich.:	A4B4C13D16 (1)
Weight, g/mol:	344.097249
ΔH_f, kcal/mol:	-56.44
Dipole, Da:	4.66
IP(EA), eV:	-9.25(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3,4-difluorobenzoate

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)C(=O)NCC(=O)NC2CC2)[N+](=O)[O-]

DOS

IR

Vibrations