Geometry & MOs

Info

ID:	330206
PubChem CID:	127247193
Reduced:	SN4O4C12H14 (1)
Stoich.:	AB4C4D12E14 (1)
Weight, g/mol:	313.146013
ΔH_f, kcal/mol:	-63.49
Dipole, Da:	4.22
IP(EA), eV:	-10.18(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfonyl-5-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCN(C2)C(=O)C3=CC=NO3

DOS

IR

Vibrations