Geometry & MOs

Info

ID:	122127
PubChem CID:	50795807
Reduced:	ClO2N5H20C22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	421.130553
ΔH_f, kcal/mol:	11.47
Dipole, Da:	6.28
IP(EA), eV:	-8.74(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CCCC2=NN=C3N2C=CN(C3=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations