Geometry & MOs

Info

ID:	277435
PubChem CID:	103828489
Reduced:	SF2O2N3C13H13 (1)
Stoich.:	AB2C2D3E13F13 (1)
Weight, g/mol:	285.128883
ΔH_f, kcal/mol:	-61.06
Dipole, Da:	7.87
IP(EA), eV:	-9.24(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-difluoro-4-nitrophenyl)-1-ethylpiperidin-3-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(C)NC2=C(C=C(C=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations