Geometry & MOs

Info

ID:	330106
PubChem CID:	127247093
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-67.87
Dipole, Da:	4.11
IP(EA), eV:	-9.42(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C(=O)N2CCC(C2)C3=CC=NN3

DOS

IR

Vibrations