Geometry & MOs

Info

ID:	83511
PubChem CID:	49857681
Reduced:	FN3H7C8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	364.105957
ΔH_f, kcal/mol:	17.14
Dipole, Da:	1.34
IP(EA), eV:	-9.57(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[[(2,5-difluoropyrimidin-4-yl)amino]methyl]phenyl]methyl]-2,5-difluoropyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC2=NC(=NC=C2)F)CNC3=NC(=NC=C3)F

DOS

IR

Vibrations