Geometry & MOs

Info

ID:	358660
PubChem CID:	127296442
Reduced:	ON4C23H30 (1)
Stoich.:	AB4C23D30 (1)
Weight, g/mol:	366.241962
ΔH_f, kcal/mol:	-1.36
Dipole, Da:	3.74
IP(EA), eV:	-9.06(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1CC(=O)N2CCC(CC2)NC3=NN=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations