Geometry & MOs

Info

ID:	285841
PubChem CID:	104133968
Reduced:	ClN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	270.113506
ΔH_f, kcal/mol:	-82.96
Dipole, Da:	3.76
IP(EA), eV:	-9.91(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations