Geometry & MOs

Info

ID:	355371
PubChem CID:	127288432
Reduced:	O2N6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	15.34
Dipole, Da:	6.99
IP(EA), eV:	-9.76(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-(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)C3=NNC(=O)C4=CC=CC=C43

DOS

IR

Vibrations