Geometry & MOs

Info

ID:	154603
PubChem CID:	56314074
Reduced:	BrO3N4H15C19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	476.05964
ΔH_f, kcal/mol:	-31.64
Dipole, Da:	3.65
IP(EA), eV:	-9.34(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=CC1=O)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations