Geometry & MOs

Info

ID:	241037
PubChem CID:	93621307
Reduced:	O2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	344.119464
ΔH_f, kcal/mol:	-27.49
Dipole, Da:	5.89
IP(EA), eV:	-8.93(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-3-methylsulfonylphenyl)-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=N1)NC(=O)C2=CC(=CC=C2)N3CCNC3=O

DOS

IR

Vibrations