Geometry & MOs

Info

ID:	153641
PubChem CID:	56312919
Reduced:	BrO3N4H17C22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	483.12699
ΔH_f, kcal/mol:	16.57
Dipole, Da:	5.78
IP(EA), eV:	-9.27(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(ON=C1C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations