Geometry & MOs

Info

ID:	288927
PubChem CID:	104328580
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-165.89
Dipole, Da:	6.75
IP(EA), eV:	-8.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1COC(CN1C2=CC(=C(C=C2)C(=O)O)C)CO

DOS

IR

Vibrations