Geometry & MOs

Info

ID:	26557
PubChem CID:	652740
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	186.103122
ΔH_f, kcal/mol:	-84.65
Dipole, Da:	4.65
IP(EA), eV:	-8.82(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(pyridin-2-ylmethyl)pyridin-1-ium-3-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC2=CC3=C(C=CC(=C3)C)NC2=O)C(=O)N4CCOCC4

DOS

IR

Vibrations