Geometry & MOs

Info

ID:	267869
PubChem CID:	103589948
Reduced:	FON2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	262.128155
ΔH_f, kcal/mol:	-94.4
Dipole, Da:	2.07
IP(EA), eV:	-8.41(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-1-N-[(4-fluorophenyl)methyl]-1-N,5-dimethylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)NC(C)(C)CO

DOS

IR

Vibrations