Geometry & MOs

Info

ID:	183835
PubChem CID:	77077057
Reduced:	ON6C9H14 (1)
Stoich.:	AB6C9D14 (1)
Weight, g/mol:	276.169859
ΔH_f, kcal/mol:	25.21
Dipole, Da:	7.6
IP(EA), eV:	-9.52(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-(1-amino-1-phenylethyl)-1,2,3,4,5,7,8,9-octahydropurin-6-one

Drug info:

PubChemData

Smile

CC(C)(C1=NC2C(=NC(=NC2=O)N)N1)NC

DOS

IR

Vibrations