Geometry & MOs

Info

ID:	83512
PubChem CID:	49857682
Reduced:	F2N3H6C8 (2)
Stoich.:	A2B3C6D8 (2)
Weight, g/mol:	352.164774
ΔH_f, kcal/mol:	-59.75
Dipole, Da:	3.86
IP(EA), eV:	-9.62(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[[4-[[(2-methoxypyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC2=NC(=NC=C2F)F)CNC3=NC(=NC=C3F)F

DOS

IR

Vibrations