Geometry & MOs

Info

ID:	157650
PubChem CID:	56436300
Reduced:	NOC6H8 (4)
Stoich.:	ABC6D8 (4)
Weight, g/mol:	472.224119
ΔH_f, kcal/mol:	-127.45
Dipole, Da:	2.41
IP(EA), eV:	-9.22(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC(CC2)CNC(=O)C3=CN(N=C3)C

DOS

IR

Vibrations