Geometry & MOs

Info

ID:	47681
PubChem CID:	10534734
Reduced:	ClNH4C7 (1)
Stoich.:	ABC4D7 (1)
Weight, g/mol:	140.08373
ΔH_f, kcal/mol:	45.88
Dipole, Da:	2.43
IP(EA), eV:	-10.04(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-oct-3-ene-2,5-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[14C]#N)Cl

DOS

IR

Vibrations