Geometry & MOs

Info

ID:	206013
PubChem CID:	80188727
Reduced:	NO2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	-129.95
Dipole, Da:	4.48
IP(EA), eV:	-8.93(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,3-dimethylpyrrolidin-1-yl)methyl]oxane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(C)(CN1CCC(C1)(C)C)C(=O)O

DOS

IR

Vibrations