Geometry & MOs

Info

ID:	381222
PubChem CID:	134971886
Reduced:	INO3C27H46 (1)
Stoich.:	ABC3D27E46 (1)
Weight, g/mol:	207.075625
ΔH_f, kcal/mol:	-109.43
Dipole, Da:	4.79
IP(EA), eV:	-9.81(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(9-methyl-6-oxo-3H-purin-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCCCCCCC1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)I)O[N+](=O)[O-])C)C

DOS

IR

Vibrations