Geometry & MOs

Info

ID:	355369
PubChem CID:	127288365
Reduced:	OSN6C13H16 (1)
Stoich.:	ABC6D13E16 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	69.44
Dipole, Da:	3.87
IP(EA), eV:	-8.79(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)C(=O)C3=CSN=N3

DOS

IR

Vibrations