Geometry & MOs

Info

ID:	37598
PubChem CID:	8022536
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-119.83
Dipole, Da:	7.1
IP(EA), eV:	-9.3(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(4-hydroxyphenyl)-3-pyrrolidin-1-ylpropanoic acid

Drug info:

PubChemData

Smile

C1CC[NH+](C1)[C@H](CC(=O)[O-])C2=CC=C(C=C2)O

DOS

IR

Vibrations