Geometry & MOs

Info

ID:	356503
PubChem CID:	127291650
Reduced:	F3N6C14H17 (1)
Stoich.:	A3B6C14D17 (1)
Weight, g/mol:	304.164774
ΔH_f, kcal/mol:	-61.21
Dipole, Da:	4.56
IP(EA), eV:	-9.59(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)CC4=NC=CN4CC(F)(F)F

DOS

IR

Vibrations