Geometry & MOs

Info

ID:	156004
PubChem CID:	56368733
Reduced:	BrClO2N5H15C18 (1)
Stoich.:	ABC2D5E15F18 (1)
Weight, g/mol:	432.05972
ΔH_f, kcal/mol:	18.23
Dipole, Da:	4.75
IP(EA), eV:	-9.27(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-fluorophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CN2C=CC=N2)CNC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations