Geometry & MOs

Info

ID:	153856
PubChem CID:	56313185
Reduced:	BrF2N3O3H14C20 (1)
Stoich.:	AB2C3D3E14F20 (1)
Weight, g/mol:	472.04947
ΔH_f, kcal/mol:	-135.1
Dipole, Da:	8.41
IP(EA), eV:	-9.17(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br)OC(F)F

DOS

IR

Vibrations