Geometry & MOs

Info

ID:	356524
PubChem CID:	127291671
Reduced:	ON6C17H28 (1)
Stoich.:	AB6C17D28 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	7.19
Dipole, Da:	6.58
IP(EA), eV:	-8.94(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC(=O)CN2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations