Geometry & MOs

Info

ID:	69698
PubChem CID:	47205196
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	326.00145
ΔH_f, kcal/mol:	-69.32
Dipole, Da:	4.09
IP(EA), eV:	-9.42(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC(=O)NCC1=COC=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations