Geometry & MOs

Info

ID:	22976
PubChem CID:	600474
Reduced:	ON4C8H8 (1)
Stoich.:	AB4C8D8 (1)
Weight, g/mol:	176.069811
ΔH_f, kcal/mol:	27.63
Dipole, Da:	9.83
IP(EA), eV:	-9.52(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-dimethyl-8H-pteridin-4-one

Drug info:

PubChemData

Smile

CC1=CN=C2C(=NC(=NC2=O)C)N1

DOS

IR

Vibrations