Geometry & MOs

Info

ID:	140788
PubChem CID:	52760158
Reduced:	ClN3O3C22H28 (1)
Stoich.:	AB3C3D22E28 (1)
Weight, g/mol:	388.202989
ΔH_f, kcal/mol:	-114.77
Dipole, Da:	2.01
IP(EA), eV:	-9.34(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC=N1)CNC(=O)[C@@H](CC(C)C)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations