Geometry & MOs

Info

ID:	212823
PubChem CID:	81061905
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-69.2
Dipole, Da:	4.12
IP(EA), eV:	-9.28(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-methylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(=O)C1=CC=CC=C1C#CCO

DOS

IR

Vibrations