Geometry & MOs

Info

ID:	209902
PubChem CID:	80738159
Reduced:	F2O2N3H13C14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	260.132491
ΔH_f, kcal/mol:	-57.4
Dipole, Da:	7.21
IP(EA), eV:	-8.76(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-ethyl-3-N-(4-fluorophenyl)-5-methoxybenzene-1,3-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=CC(=C1)[N+](=O)[O-])NC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations