Geometry & MOs

Info

ID:	373519
PubChem CID:	131316439
Reduced:	NO2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	223.075705
ΔH_f, kcal/mol:	-76.42
Dipole, Da:	6.4
IP(EA), eV:	-9.69(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine

Drug info:

PubChemData

Smile

C1CC(C2=CC(=C(C=C21)[N+](=O)[O-])O)(CO)N

DOS

IR

Vibrations