Geometry & MOs

Info

ID:	372453
PubChem CID:	131297911
Reduced:	O3C13H14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	198.96328
ΔH_f, kcal/mol:	-104.09
Dipole, Da:	5.69
IP(EA), eV:	-8.94(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromofuran-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C=C(C=C2)CC(C)C(=O)O

DOS

IR

Vibrations