Geometry & MOs

Info

ID:	356516
PubChem CID:	127291663
Reduced:	FON5C17H20 (1)
Stoich.:	ABC5D17E20 (1)
Weight, g/mol:	343.146681
ΔH_f, kcal/mol:	-2.25
Dipole, Da:	7.73
IP(EA), eV:	-8.86(-0.14)
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)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations