Geometry & MOs

Info

ID:	248369
PubChem CID:	103081078
Reduced:	OF2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	297.124405
ΔH_f, kcal/mol:	-83.26
Dipole, Da:	3.83
IP(EA), eV:	-8.89(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-nitroaniline

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)CNCCOCC(F)F

DOS

IR

Vibrations