Geometry & MOs

Info

ID:	55809
PubChem CID:	17396595
Reduced:	ON3H9C10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	359.02694
ΔH_f, kcal/mol:	58.72
Dipole, Da:	3.14
IP(EA), eV:	-9.53(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)CN2C(=O)C3=CC=CC=C3N=N2)CN4C=CC=N4

DOS

IR

Vibrations