Geometry & MOs

Info

ID:	185039
PubChem CID:	77244925
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	414.191657
ΔH_f, kcal/mol:	11.69
Dipole, Da:	6.56
IP(EA), eV:	-8.95(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC12CC(=O)C3=CC=CC=C3O2)C4NNNN4

DOS

IR

Vibrations