Geometry & MOs

Info

ID:	355442
PubChem CID:	127288505
Reduced:	OSN6C16H24 (1)
Stoich.:	ABC6D16E24 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	15.85
Dipole, Da:	4.75
IP(EA), eV:	-8.45(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-N-[1-oxo-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C=CN=C1SCC(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations