Geometry & MOs

Info

ID:	206675
PubChem CID:	80282301
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-76.56
Dipole, Da:	4.04
IP(EA), eV:	-9.43(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethylpyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=N1)S(=O)(=O)C2=CNC(=C2)CO

DOS

IR

Vibrations