Geometry & MOs

Info

ID:	126006
PubChem CID:	50948168
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	388.29506
ΔH_f, kcal/mol:	59.4
Dipole, Da:	2.91
IP(EA), eV:	-8.98(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC1=NN(C(=N1)C2=CC=C(O2)C#CC(C)(C)O)C3=CC=CC=N3

DOS

IR

Vibrations