Geometry & MOs

Info

ID:	122132
PubChem CID:	50795965
Reduced:	O3N7C26H29 (1)
Stoich.:	A3B7C26D29 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-6.9
Dipole, Da:	11.18
IP(EA), eV:	-8.75(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C=CN3C(=NN=C3C2=O)CCCC(=O)N4CCN(CC4)C5=CC=CC=N5

DOS

IR

Vibrations