Geometry & MOs

Info

ID:	277408
PubChem CID:	103828329
Reduced:	F2N3O3C13H17 (1)
Stoich.:	A2B3C3D13E17 (1)
Weight, g/mol:	246.081599
ΔH_f, kcal/mol:	-116.65
Dipole, Da:	6.83
IP(EA), eV:	-9.17(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-(3-methoxypropyl)-4-nitroaniline

Drug info:

PubChemData

Smile

C1COCCN1CCCNC2=C(C=C(C=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations