Geometry & MOs

Info

ID:	330590
PubChem CID:	127247997
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-149.16
Dipole, Da:	6.29
IP(EA), eV:	-8.8(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(dimethylamino)methyl]-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN(C)CC1(CCN(C1)C(=O)C2=CC(=CC(=C2)OC)OC)O

DOS

IR

Vibrations