Geometry & MOs

Info

ID:	69635
PubChem CID:	47205062
Reduced:	ON4H10C12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	268.97999
ΔH_f, kcal/mol:	55.37
Dipole, Da:	4.2
IP(EA), eV:	-9.96(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(1H-pyrazol-5-ylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)C(=O)NCC2=CC=NN2

DOS

IR

Vibrations