Geometry & MOs

Info

ID:	277417
PubChem CID:	103828399
Reduced:	F2N3O4C11H13 (1)
Stoich.:	A2B3C4D11E13 (1)
Weight, g/mol:	295.076848
ΔH_f, kcal/mol:	-153.68
Dipole, Da:	6.16
IP(EA), eV:	-9.57(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[(6-methoxypyridin-3-yl)methyl]-4-nitroaniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations