Geometry & MOs

Info

ID:	69699
PubChem CID:	47205198
Reduced:	BrO3N4C11H11 (1)
Stoich.:	AB3C4D11E11 (1)
Weight, g/mol:	248.09094
ΔH_f, kcal/mol:	-43.66
Dipole, Da:	3.72
IP(EA), eV:	-9.73(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-(1H-pyrazol-5-ylmethylamino)ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1=C(OC(=C1)Br)C(=O)NCC(=O)NCC2=CC=NN2

DOS

IR

Vibrations