Geometry & MOs

Info

ID:	285838
PubChem CID:	104133965
Reduced:	ClN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	256.097855
ΔH_f, kcal/mol:	-70.3
Dipole, Da:	5.01
IP(EA), eV:	-9.82(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2-hydroxyethyl)-N-methyl-6-propylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)N(C)CCO)Cl

DOS

IR

Vibrations