Geometry & MOs

Info

ID:	277440
PubChem CID:	103828552
Reduced:	F2N2O3H10C13 (1)
Stoich.:	A2B2C3D10E13 (1)
Weight, g/mol:	299.144533
ΔH_f, kcal/mol:	-90.53
Dipole, Da:	10.18
IP(EA), eV:	-9.0(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-nitroaniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations