Geometry & MOs

Info

ID:	285839
PubChem CID:	104133966
Reduced:	ClN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	256.097855
ΔH_f, kcal/mol:	-71.74
Dipole, Da:	4.73
IP(EA), eV:	-9.8(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2-hydroxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations