Geometry & MOs

Info

ID:	272340
PubChem CID:	103740001
Reduced:	F2N3O3C12H15 (1)
Stoich.:	A2B3C3D12E15 (1)
Weight, g/mol:	284.097249
ΔH_f, kcal/mol:	-118.84
Dipole, Da:	3.84
IP(EA), eV:	-9.02(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-difluoro-3-nitrophenyl)-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CN(C)CCCNC(=O)C1=C(C=CC(=C1F)[N+](=O)[O-])F

DOS

IR

Vibrations