Geometry & MOs

Info

ID:	83354
PubChem CID:	49857485
Reduced:	FN5H16C17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	309.138974
ΔH_f, kcal/mol:	54.6
Dipole, Da:	2.34
IP(EA), eV:	-8.84(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)NCC2=CC=C(C=C2)CNC3=NC=C(C=C3)F

DOS

IR

Vibrations