Geometry & MOs

Info

ID:	138732
PubChem CID:	52416886
Reduced:	FSN2O3C15H15 (1)
Stoich.:	ABC2D3E15F15 (1)
Weight, g/mol:	298.154209
ΔH_f, kcal/mol:	-121.5
Dipole, Da:	1.53
IP(EA), eV:	-9.33(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethoxypropyl)-7-phenylpyrazolo[3,4-d]triazin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)C(=O)NC[C@@H](C2=CSC=C2)O)F

DOS

IR

Vibrations