Geometry & MOs

Info

ID:	137982
PubChem CID:	52294342
Reduced:	ON2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	370.213067
ΔH_f, kcal/mol:	-47.39
Dipole, Da:	3.09
IP(EA), eV:	-9.2(0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H](C1)NC(=O)[C@@H](C2=CC=CC=C2)N(C)C

DOS

IR

Vibrations