Geometry & MOs

Info

ID:	79962
PubChem CID:	49831853
Reduced:	O4N5H17C24 (1)
Stoich.:	A4B5C17D24 (1)
Weight, g/mol:	234.96328
ΔH_f, kcal/mol:	64.85
Dipole, Da:	3.0
IP(EA), eV:	-9.29(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C1=NN=C(O1)C2=CC=CC=C2[N+](=O)[O-])N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

DOS

IR

Vibrations