Geometry & MOs

Info

ID:	356526
PubChem CID:	127291673
Reduced:	ClON5C17H20 (1)
Stoich.:	ABC5D17E20 (1)
Weight, g/mol:	358.157581
ΔH_f, kcal/mol:	31.45
Dipole, Da:	3.87
IP(EA), eV:	-9.06(-0.52)
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-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)CN2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations