Geometry & MOs

Info

ID:	193757
PubChem CID:	78434609
Reduced:	O4N6C24H35 (1)
Stoich.:	A4B6C24D35 (1)
Weight, g/mol:	346.13223
ΔH_f, kcal/mol:	-81.58
Dipole, Da:	9.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.811066
Charge, e:	1

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

C1COC2CC3C(CC(C(=O)N3)C[NH+](CCO)CC4=NN=NN4CCC5=CC=CC=C5)CC2O1

DOS

IR

Vibrations