Geometry & MOs

Info

ID:	277433
PubChem CID:	103828481
Reduced:	F2O3N4C12H12 (1)
Stoich.:	A2B3C4D12E12 (1)
Weight, g/mol:	294.081599
ΔH_f, kcal/mol:	-65.0
Dipole, Da:	10.18
IP(EA), eV:	-9.16(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,6-difluoro-4-nitroanilino)ethyl]phenol

Drug info:

PubChemData

Smile

COCCN1C=C(C=N1)NC2=C(C=C(C=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations