Geometry & MOs

Info

ID:	642
PubChem CID:	3124
Reduced:	ON5C7H11 (1)
Stoich.:	AB5C7D11 (1)
Weight, g/mol:	181.09636
ΔH_f, kcal/mol:	-4.43
Dipole, Da:	7.05
IP(EA), eV:	-8.2(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-methyl-5,6,7,8-tetrahydro-1H-pteridin-4-one

Drug info:

PubChemData

Smile

CC1CNC2=C(N1)C(=O)N=C(N2)N

DOS

IR

Vibrations