Geometry & MOs

Info

ID:	277457
PubChem CID:	103828685
Reduced:	SF2O2N3H11C12 (1)
Stoich.:	AB2C2D3E11F12 (1)
Weight, g/mol:	260.097249
ΔH_f, kcal/mol:	-45.35
Dipole, Da:	9.43
IP(EA), eV:	-9.22(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNC2=C(C=C(C=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations