Geometry & MOs

Info

ID:	154917
PubChem CID:	56314466
Reduced:	BrO3N4H13C17 (1)
Stoich.:	AB3C4D13E17 (1)
Weight, g/mol:	467.02047
ΔH_f, kcal/mol:	-2.25
Dipole, Da:	5.12
IP(EA), eV:	-9.28(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations