Geometry & MOs

Info

ID:	272516
PubChem CID:	103744327
Reduced:	ON5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	303.048919
ΔH_f, kcal/mol:	82.83
Dipole, Da:	3.99
IP(EA), eV:	-9.2(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethylsulfonyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]aniline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC=N2)NCCC3=NC=NO3

DOS

IR

Vibrations