Geometry & MOs

Info

ID:	361371
PubChem CID:	127303237
Reduced:	ON7C17H21 (1)
Stoich.:	AB7C17D21 (1)
Weight, g/mol:	328.201159
ΔH_f, kcal/mol:	79.07
Dipole, Da:	13.22
IP(EA), eV:	-9.02(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)N3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations