Geometry & MOs

Info

ID:	11948
PubChem CID:	124187
Reduced:	O2N6C7H8 (1)
Stoich.:	A2B6C7D8 (1)
Weight, g/mol:	208.070874
ΔH_f, kcal/mol:	1.59
Dipole, Da:	13.15
IP(EA), eV:	-9.16(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-6-(hydroxymethyl)-3H-pteridin-7-one

Drug info:

PubChemData

Smile

C(C1=NC2=C(NC(=NC2=NC1=O)N)N)O

DOS

IR

Vibrations