Geometry & MOs

Info

ID:	356527
PubChem CID:	127291674
Reduced:	OSN6C17H22 (1)
Stoich.:	ABC6D17E22 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	50.18
Dipole, Da:	8.05
IP(EA), eV:	-8.9(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)NC(=O)CN3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations