Geometry & MOs

Info

ID:	1425
PubChem CID:	4403
Reduced:	PN5O7C11H16 (1)
Stoich.:	AB5C7D11E16 (1)
Weight, g/mol:	361.078735
ΔH_f, kcal/mol:	-299.93
Dipole, Da:	4.65
IP(EA), eV:	-8.94(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O

DOS

IR

Vibrations