Geometry & MOs

Info

ID:	356509
PubChem CID:	127291656
Reduced:	OF3N5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	333.140117
ΔH_f, kcal/mol:	-112.25
Dipole, Da:	7.05
IP(EA), eV:	-9.55(-0.83)
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-(3,5-difluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)N2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations