Geometry & MOs

Info

ID:	185040
PubChem CID:	77244983
Reduced:	ON8C22H22 (1)
Stoich.:	AB8C22D22 (1)
Weight, g/mol:	432.182235
ΔH_f, kcal/mol:	125.91
Dipole, Da:	3.52
IP(EA), eV:	-9.37(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-5-(oxolan-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine

Drug info:

PubChemData

Smile

CCC1C2=NN=CN2C3=CN=C(N=C3N1C4CCOC4)N5C=CN=C5C6=CC=CC=C6

DOS

IR

Vibrations