Geometry & MOs

Info

ID:	303199
PubChem CID:	124489344
Reduced:	SN2O2C14H22 (1)
Stoich.:	AB2C2D14E22 (1)
Weight, g/mol:	282.140199
ΔH_f, kcal/mol:	-81.62
Dipole, Da:	4.55
IP(EA), eV:	-8.68(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[C@H](C2)CNC)C

DOS

IR

Vibrations