Geometry & MOs

Info

ID:	285842
PubChem CID:	104133969
Reduced:	ClN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	284.129156
ΔH_f, kcal/mol:	-88.44
Dipole, Da:	3.21
IP(EA), eV:	-9.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-chloro-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)N(CC)CCO)Cl

DOS

IR

Vibrations