Geometry & MOs

Info

ID:	23798
PubChem CID:	606110
Reduced:	O2N5C10H13 (1)
Stoich.:	A2B5C10D13 (1)
Weight, g/mol:	235.106925
ΔH_f, kcal/mol:	-20.73
Dipole, Da:	9.12
IP(EA), eV:	-9.17(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-(2-hydroxyethyl)-6,7-dimethylpteridin-4-one

Drug info:

PubChemData

Smile

CC1=C(N(C2=NC(=NC(=O)C2=N1)N)CCO)C

DOS

IR

Vibrations