Geometry & MOs

Info

ID:	364937
PubChem CID:	127316585
Reduced:	BrON4C16H19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	377.134403
ΔH_f, kcal/mol:	30.35
Dipole, Da:	4.86
IP(EA), eV:	-8.67(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclobutylpiperazin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)C3=NNC4=C3C=C(C=C4)Br

DOS

IR

Vibrations