Geometry & MOs

Info

ID:	83208
PubChem CID:	49857283
Reduced:	ClFON8C22H26 (1)
Stoich.:	ABCD8E22F26 (1)
Weight, g/mol:	326.134303
ΔH_f, kcal/mol:	16.8
Dipole, Da:	4.44
IP(EA), eV:	-8.81(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-[[4-[[(6-fluoropyridin-2-yl)amino]methyl]phenyl]methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1COCCN1CCNC2=NC=CC(=N2)NCC3=CC=C(C=C3)CNC4=NC(=NC=C4F)Cl

DOS

IR

Vibrations