Geometry & MOs

Info

ID:	212841
PubChem CID:	81061998
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-57.86
Dipole, Da:	1.81
IP(EA), eV:	-9.4(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=CC=C(C=C1)C#CCO

DOS

IR

Vibrations