Geometry & MOs

Info

ID:	285739
PubChem CID:	104123843
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-45.04
Dipole, Da:	5.72
IP(EA), eV:	-8.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[ethyl(methyl)amino]ethylamino]-6-methylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N(C)C2=NC(=CC(=C2)C(=O)O)C

DOS

IR

Vibrations