Geometry & MOs

Info

ID:	396612
PubChem CID:	135028850
Reduced:	N5O5C9H18 (1)
Stoich.:	A5B5C9D18 (1)
Weight, g/mol:	275.122969
ΔH_f, kcal/mol:	-196.88
Dipole, Da:	6.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756641
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4,6-triaminopyrimidin-5-yl)pentane-1,2,3,4,5-pentol

Drug info:

PubChemData

Smile

C(C(C(C(C(C1=C(N=C(N=C1N)N)N)[OH2+])O)O)O)O

DOS

IR

Vibrations