Geometry & MOs

Info

ID:	368462
PubChem CID:	127328747
Reduced:	O2N6C17H28 (1)
Stoich.:	A2B6C17D28 (1)
Weight, g/mol:	387.224595
ΔH_f, kcal/mol:	-71.65
Dipole, Da:	2.5
IP(EA), eV:	-9.2(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CCCN(C2)C(=O)NCC(=O)N3CCCC3

DOS

IR

Vibrations