Geometry & MOs

Info

ID:	56270
PubChem CID:	17422916
Reduced:	BrSN2O4C22H23 (1)
Stoich.:	ABC2D4E22F23 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-83.22
Dipole, Da:	5.16
IP(EA), eV:	-8.41(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=CC(=C2CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4Br)O

DOS

IR

Vibrations