Geometry & MOs

Info

ID:	277413
PubChem CID:	103828388
Reduced:	F2N3O3C11H13 (1)
Stoich.:	A2B3C3D11E13 (1)
Weight, g/mol:	285.128883
ΔH_f, kcal/mol:	-127.14
Dipole, Da:	6.18
IP(EA), eV:	-9.56(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)CNC1=C(C=C(C=C1F)[N+](=O)[O-])F

DOS

IR

Vibrations