Geometry & MOs

Info

ID:	205929
PubChem CID:	80178781
Reduced:	N2C11H22 (1)
Stoich.:	A2B11C22 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-21.34
Dipole, Da:	2.34
IP(EA), eV:	-8.35(2.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,3-diethylpyrrolidin-1-yl)sulfonylbenzoic acid

Drug info:

PubChemData

Smile

CC1(CCN(C1)C2CCNCC2)C

DOS

IR

Vibrations