Geometry & MOs

Info

ID:	200995
PubChem CID:	79472068
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	260.102174
ΔH_f, kcal/mol:	-65.98
Dipole, Da:	4.96
IP(EA), eV:	-10.0(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1H-[1,2,4]triazolo[3,4-f]purin-3-yl)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCCC1)C2=NN=CN2C

DOS

IR

Vibrations