Geometry & MOs

Info

ID:	9946
PubChem CID:	95188
Reduced:	ON5C6H7 (1)
Stoich.:	AB5C6D7 (1)
Weight, g/mol:	165.06506
ΔH_f, kcal/mol:	10.32
Dipole, Da:	4.66
IP(EA), eV:	-9.23(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-methyl-3,7-dihydropurin-6-one

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C(=O)N=C(N2)N

DOS

IR

Vibrations