Geometry & MOs

Info

ID:	277447
PubChem CID:	103828591
Reduced:	F2N2O3H12C14 (1)
Stoich.:	A2B2C3D12E14 (1)
Weight, g/mol:	296.108482
ΔH_f, kcal/mol:	-93.91
Dipole, Da:	8.94
IP(EA), eV:	-9.14(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,6-difluoro-4-nitroanilino)piperidin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)CO)CNC2=C(C=C(C=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations