Geometry & MOs

Info

ID:

175534

PubChem CID:

75918472

Reduced:

FON4C21H30 (1)

Stoich.:

ABC4D21E30 (1)

Weight, g/mol:

372.23254

ΔHf, kcal/mol:

-43.47

Dipole, Da:

6.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.901050

Charge, e:

 0

Chem-info

IUPAC name:

5-ethyl-1-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCCC[NH+]3CCCCC3C

DOS

IR

Vibrations