Geometry & MOs

Info

ID:	122126
PubChem CID:	50795806
Reduced:	FO2N5H22C23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	421.130553
ΔH_f, kcal/mol:	-35.92
Dipole, Da:	7.46
IP(EA), eV:	-8.3(-1.27)
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-(3-methylphenyl)butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations