Geometry & MOs

Info

ID:	157570
PubChem CID:	56435752
Reduced:	ClON6C21H27 (1)
Stoich.:	ABC6D21E27 (1)
Weight, g/mol:	485.216923
ΔH_f, kcal/mol:	28.74
Dipole, Da:	5.42
IP(EA), eV:	-8.57(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(2,5-ditert-butylpyrazol-3-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=NN3C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations