Geometry & MOs

Info

ID:	212994
PubChem CID:	81062457
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-96.53
Dipole, Da:	2.09
IP(EA), eV:	-9.02(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OCCN(C)CC(C1=CC2=CC=CC=C2O1)O

DOS

IR

Vibrations