Geometry & MOs

Info

ID:	277450
PubChem CID:	103828613
Reduced:	F2O2N4C13H18 (1)
Stoich.:	A2B2C4D13E18 (1)
Weight, g/mol:	290.107813
ΔH_f, kcal/mol:	-71.34
Dipole, Da:	8.72
IP(EA), eV:	-8.88(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC2=C(C=C(C=C2F)[N+](=O)[O-])F)C

DOS

IR

Vibrations