Geometry & MOs

Info

ID:	20140
PubChem CID:	580142
Reduced:	N5C8H10 (2)
Stoich.:	A5B8C10 (2)
Weight, g/mol:	352.187241
ΔH_f, kcal/mol:	108.57
Dipole, Da:	2.5
IP(EA), eV:	-8.25(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[[4-[[(2,4-diaminopyrimidin-5-yl)amino]methyl]phenyl]methyl]pyrimidine-2,4,5-triamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC2=CN=C(N=C2N)N)CNC3=CN=C(N=C3N)N

DOS

IR

Vibrations