Geometry & MOs

Info

ID:	356488
PubChem CID:	127291635
Reduced:	ON5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	39.75
Dipole, Da:	5.55
IP(EA), eV:	-9.61(0.21)
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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)CC(=O)NC4CC4

DOS

IR

Vibrations