Geometry & MOs

Info

ID:	368175
PubChem CID:	127327726
Reduced:	SO2N5C12H17 (1)
Stoich.:	AB2C5D12E17 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-7.22
Dipole, Da:	4.92
IP(EA), eV:	-9.11(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[1-[(2-methylphenyl)methylsulfonyl]pyrrolidin-3-yl]pyrazole

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CCC(C2)C3=CN(N=C3)C

DOS

IR

Vibrations