Geometry & MOs

Info

ID:	412843
PubChem CID:	135085772
Reduced:	NBr2O4H5C9 (1)
Stoich.:	AB2C4D5E9 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-20.95
Dipole, Da:	5.67
IP(EA), eV:	-9.66(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-pyrrol-1-yloct-2-en-1-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)C=C(Br)Br)[N+](=O)[O-]

DOS

IR

Vibrations