Geometry & MOs

Info

ID:	216351
PubChem CID:	85086084
Reduced:	NO5C12H19 (1)
Stoich.:	AB5C12D19 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-216.69
Dipole, Da:	3.66
IP(EA), eV:	-9.76(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-hydroxypropyl)pyridin-1-ium-1-yl]pyridine-4-carboximidate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1CCCN1C(=O)OCC=C)O

DOS

IR

Vibrations