Geometry & MOs

Info

ID:	211681
PubChem CID:	81049494
Reduced:	ClO2N3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	320.01604
ΔH_f, kcal/mol:	-23.35
Dipole, Da:	3.17
IP(EA), eV:	-9.41(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-ethylphenyl)-5-hydroxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=CC(=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations