Geometry & MOs

Info

ID:	355387
PubChem CID:	127288450
Reduced:	OSN5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	22.65
Dipole, Da:	8.33
IP(EA), eV:	-9.69(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)CCC3=NC=CS3

DOS

IR

Vibrations