Geometry & MOs

Info

ID:	356515
PubChem CID:	127291662
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	329.165188
ΔH_f, kcal/mol:	2.72
Dipole, Da:	4.78
IP(EA), eV:	-9.14(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)CC(=O)NC4CCOC5=CC=CC=C45

DOS

IR

Vibrations