Geometry & MOs

Info

ID:	157930
PubChem CID:	56459053
Reduced:	ClON3C9H9 (2)
Stoich.:	ABC3D9E9 (2)
Weight, g/mol:	415.028
ΔH_f, kcal/mol:	-21.81
Dipole, Da:	5.0
IP(EA), eV:	-8.96(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-bromophenoxy)-N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C(=O)N)NC(=O)CC2=C(N(N=C2C)C3=CC(=C(C=C3)Cl)Cl)C

DOS

IR

Vibrations