Geometry & MOs

Info

ID:	205944
PubChem CID:	80181230
Reduced:	SN2O2C14H22 (1)
Stoich.:	AB2C2D14E22 (1)
Weight, g/mol:	296.155849
ΔH_f, kcal/mol:	-90.54
Dipole, Da:	5.77
IP(EA), eV:	-8.49(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,3-diethylpyrrolidin-1-yl)sulfonylmethyl]aniline

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)N)C)S(=O)(=O)N2CCC(C2)(C)C

DOS

IR

Vibrations