Geometry & MOs

Info

ID:	441494
PubChem CID:	135235412
Reduced:	O2N5C10H15 (1)
Stoich.:	A2B5C10D15 (1)
Weight, g/mol:	265.117489
ΔH_f, kcal/mol:	-24.93
Dipole, Da:	4.81
IP(EA), eV:	-9.08(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-(5-ethyl-4-hydroxyoxolan-2-yl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one

Drug info:

PubChemData

Smile

CC(CCC1=CNN2C1=NC(=NC2=O)N)OC

DOS

IR

Vibrations