Geometry & MOs

Info

ID:	154281
PubChem CID:	56313692
Reduced:	BrN3O4H18C22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	461.04874
ΔH_f, kcal/mol:	-70.8
Dipole, Da:	5.86
IP(EA), eV:	-9.03(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[(4-pyrazol-1-ylbenzoyl)amino]benzamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)CC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations