Geometry & MOs

Info

ID:	123478
PubChem CID:	50849688
Reduced:	BrO3N4H11C16 (1)
Stoich.:	AB3C4D11E16 (1)
Weight, g/mol:	266.009434
ΔH_f, kcal/mol:	18.57
Dipole, Da:	11.26
IP(EA), eV:	-8.83(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloro-5-nitrophenyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C(=C1)Br)O/C(=C/3\C=C(C=CC3=O)N4C=NN=C4)/N2

DOS

IR

Vibrations