Geometry & MOs

Info

ID:	361616
PubChem CID:	127303882
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	391.204196
ΔH_f, kcal/mol:	-78.3
Dipole, Da:	7.1
IP(EA), eV:	-9.43(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCCN(C2)C(=O)C3CC4CCCC(C3)C4=O

DOS

IR

Vibrations