Geometry & MOs

Info

ID:	277414
PubChem CID:	103828394
Reduced:	F2O2N3C13H17 (1)
Stoich.:	A2B2C3D13E17 (1)
Weight, g/mol:	288.128549
ΔH_f, kcal/mol:	-85.07
Dipole, Da:	6.96
IP(EA), eV:	-9.12(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[3-(2-methylpropoxy)propyl]-4-nitroaniline

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC2=C(C=C(C=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations