Geometry & MOs

Info

ID:	236
PubChem CID:	2380
Reduced:	O3N5C9H11 (1)
Stoich.:	A3B5C9D11 (1)
Weight, g/mol:	237.086189
ΔH_f, kcal/mol:	-67.65
Dipole, Da:	7.55
IP(EA), eV:	-10.0(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-(1,2-dihydroxypropyl)-1H-pteridin-4-one

Drug info:

PubChemData

Smile

CC(C(C1=CN=C2C(=N1)C(=O)N=C(N2)N)O)O

DOS

IR

Vibrations