Geometry & MOs

Info

ID:	367849
PubChem CID:	127325970
Reduced:	O3N4C19H32 (1)
Stoich.:	A3B4C19D32 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	-141.88
Dipole, Da:	3.78
IP(EA), eV:	-8.61(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methylcyclohexyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)CC(=O)N2CCN(CC2)C3CCC(CC3)C

DOS

IR

Vibrations