Geometry & MOs

Info

ID:	277462
PubChem CID:	103828739
Reduced:	F2N2O3C12H12 (1)
Stoich.:	A2B2C3D12E12 (1)
Weight, g/mol:	260.097249
ΔH_f, kcal/mol:	-110.57
Dipole, Da:	7.91
IP(EA), eV:	-9.23(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-difluoro-4-nitroanilino)pentan-3-ol

Drug info:

PubChemData

Smile

C1CC2C(CC1O2)NC3=C(C=C(C=C3F)[N+](=O)[O-])F

DOS

IR

Vibrations