Geometry & MOs

Info

ID:	367560
PubChem CID:	127324939
Reduced:	ON6C19H26 (1)
Stoich.:	AB6C19D26 (1)
Weight, g/mol:	342.216809
ΔH_f, kcal/mol:	34.55
Dipole, Da:	6.33
IP(EA), eV:	-8.8(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC(=NC=C3)N4C=NC=N4

DOS

IR

Vibrations