Geometry & MOs

Info

ID:	62262
PubChem CID:	26718708
Reduced:	SN2O3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	374.186852
ΔH_f, kcal/mol:	-65.06
Dipole, Da:	2.66
IP(EA), eV:	-8.5(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations