Geometry & MOs

Info

ID:	371664
PubChem CID:	131270228
Reduced:	O2N5C8H9 (1)
Stoich.:	A2B5C8D9 (1)
Weight, g/mol:	207.075625
ΔH_f, kcal/mol:	-11.71
Dipole, Da:	8.04
IP(EA), eV:	-9.49(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=NC(=NC(=C2N1)N)C(=O)OC

DOS

IR

Vibrations