Geometry & MOs

Info

ID:	352777
PubChem CID:	127283866
Reduced:	ClON6C17H19 (1)
Stoich.:	ABC6D17E19 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	70.57
Dipole, Da:	4.72
IP(EA), eV:	-9.48(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NN=C(O1)C2=CC(=CC=C2)Cl)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations