Geometry & MOs

Info

ID:	364934
PubChem CID:	127316580
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-135.58
Dipole, Da:	5.82
IP(EA), eV:	-8.68(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclobutylpiperazin-1-yl)-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)C3CCC3)CC

DOS

IR

Vibrations