Geometry & MOs

Info

ID:	37597
PubChem CID:	8022534
Reduced:	N2O3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-77.79
Dipole, Da:	8.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751921
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-hydroxyphenyl)-3-pyrrolidin-1-ium-1-ylpropanoate

Drug info:

PubChemData

Smile

C[NH+]1CC[NH+](CC1)[C@H](CC(=O)[O-])C2=CC=C(C=C2)OC

DOS

IR

Vibrations