Geometry & MOs

Info

ID:	361594
PubChem CID:	127303860
Reduced:	OSN8C15H22 (1)
Stoich.:	ABC8D15E22 (1)
Weight, g/mol:	373.247775
ΔH_f, kcal/mol:	93.44
Dipole, Da:	8.91
IP(EA), eV:	-9.43(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCCC(=O)N2CCCC(C2)C3=NN=CN3C4CC4

DOS

IR

Vibrations