Geometry & MOs

Info

ID:	285872
PubChem CID:	104134123
Reduced:	ClN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	242.082205
ΔH_f, kcal/mol:	-90.87
Dipole, Da:	4.89
IP(EA), eV:	-10.01(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-ethyl-N-(2-hydroxypropyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)NC(C)(C)CO)Cl

DOS

IR

Vibrations