Geometry & MOs

Info

ID:	42385
PubChem CID:	8149498
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	282.160637
ΔH_f, kcal/mol:	-82.62
Dipole, Da:	2.16
IP(EA), eV:	-7.72(0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(4-methylphenyl)-4-pyrrolidin-1-ylpyridin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)NC3=CC=C(C=C3)N4CCCCC4

DOS

IR

Vibrations