Geometry & MOs

Info

ID:	154698
PubChem CID:	56314202
Reduced:	BrO3N4H19C23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	489.08004
ΔH_f, kcal/mol:	-24.76
Dipole, Da:	5.06
IP(EA), eV:	-9.3(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations