Geometry & MOs

Info

ID:	188967
PubChem CID:	77795577
Reduced:	ClO2N3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	162.054161
ΔH_f, kcal/mol:	-7.38
Dipole, Da:	2.77
IP(EA), eV:	-9.32(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-methylidene-3H-purin-8-one

Drug info:

PubChemData

Smile

C1CC1C#CCNCC(C(COC2=CC(=CN=C2)Cl)N)O

DOS

IR

Vibrations