Geometry & MOs

Info

ID:	206055
PubChem CID:	80194423
Reduced:	NSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	282.194343
ΔH_f, kcal/mol:	-166.19
Dipole, Da:	5.87
IP(EA), eV:	-9.78(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylpyrrolidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)S(=O)(=O)NCC2(CCCO2)C)O

DOS

IR

Vibrations