Geometry & MOs

Info

ID:	172164
PubChem CID:	75473509
Reduced:	ClFO2N6H16C17 (1)
Stoich.:	ABC2D6E16F17 (1)
Weight, g/mol:	406.167477
ΔH_f, kcal/mol:	-5.12
Dipole, Da:	3.17
IP(EA), eV:	-9.79(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[1-(3-ethoxy-4-methylbenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C1=CN(N=N1)C2CN(C2)C(=O)C3=C(NN=C3)C4=CC(=C(C=C4)F)Cl)O

DOS

IR

Vibrations