Geometry & MOs

Info

ID:	265598
PubChem CID:	103532602
Reduced:	SN2O3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	284.119464
ΔH_f, kcal/mol:	-101.14
Dipole, Da:	7.57
IP(EA), eV:	-9.48(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3-methoxypyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine

Drug info:

PubChemData

Smile

COC1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCN

DOS

IR

Vibrations