Geometry & MOs

Info

ID:	154700
PubChem CID:	56314205
Reduced:	BrO3N5H16C22 (1)
Stoich.:	AB3C5D16E22 (1)
Weight, g/mol:	493.05497
ΔH_f, kcal/mol:	13.16
Dipole, Da:	4.3
IP(EA), eV:	-9.26(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C=NN2CC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations