Geometry & MOs

Info

ID:	285924
PubChem CID:	104137889
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	279.194677
ΔH_f, kcal/mol:	-118.21
Dipole, Da:	4.57
IP(EA), eV:	-8.92(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(dimethylamino)ethyl-propylamino]-6-ethylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)O)N2CCOC3C2CCCC3

DOS

IR

Vibrations