Geometry & MOs

Info

ID:	15572
PubChem CID:	444632
Reduced:	O4N5C9H11 (1)
Stoich.:	A4B5C9D11 (1)
Weight, g/mol:	253.081104
ΔH_f, kcal/mol:	-103.88
Dipole, Da:	7.01
IP(EA), eV:	-10.1(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[(1R,2R)-1,2,3-trihydroxypropyl]-1H-pteridin-4-one

Drug info:

PubChemData

Smile

C1=C(N=C2C(=N1)NC(=NC2=O)N)[C@H]([C@@H](CO)O)O

DOS

IR

Vibrations