Geometry & MOs

Info

ID:	183833
PubChem CID:	77076164
Reduced:	N2O2C9H12 (1)
Stoich.:	A2B2C9D12 (1)
Weight, g/mol:	250.154209
ΔH_f, kcal/mol:	-42.17
Dipole, Da:	3.7
IP(EA), eV:	-9.42(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-(5-amino-3-methylpentyl)-5,9-dihydropurin-6-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC=C(C)C(=O)O

DOS

IR

Vibrations