Geometry & MOs

Info

ID:	324958
PubChem CID:	126678929
Reduced:	FON5H14C18 (1)
Stoich.:	ABC5D14E18 (1)
Weight, g/mol:	335.179776
ΔH_f, kcal/mol:	56.72
Dipole, Da:	4.63
IP(EA), eV:	-8.95(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(3-fluoro-4-methylphenyl)phenyl]ethyl]-6-methylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=CC(=C2)COC3=CC(=NC4=NNN=C34)N)F

DOS

IR

Vibrations