Geometry & MOs

Info

ID:	130433
PubChem CID:	51090850
Reduced:	O3N4H14C17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	330.12628
ΔH_f, kcal/mol:	-6.46
Dipole, Da:	5.8
IP(EA), eV:	-9.1(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(7H-purin-6-yl)amino]-N-(1-thiophen-3-ylpropan-2-yl)acetamide

Drug info:

PubChemData

Smile

C1OC2=CC=CC(=C2O1)CNC(=O)C3=CC(=NC=C3)N4C=CN=C4

DOS

IR

Vibrations