Geometry & MOs

Info

ID:	243823
PubChem CID:	99239872
Reduced:	BrO2N3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	446.03898
ΔH_f, kcal/mol:	24.91
Dipole, Da:	3.75
IP(EA), eV:	-9.3(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopropyl-N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=NN2)C(=O)NCC3=CC(=CC=C3)COCC4=CC=CC=C4)Br

DOS

IR

Vibrations