Geometry & MOs

Info

ID:	70521
PubChem CID:	48413465
Reduced:	ClN3O4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	386.24819
ΔH_f, kcal/mol:	-172.97
Dipole, Da:	3.78
IP(EA), eV:	-8.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)C1=CC(=C(C(=C1)Cl)OCC(=O)N)OC

DOS

IR

Vibrations