Geometry & MOs

Info

ID:	26241
PubChem CID:	642129
Reduced:	NO2H5C8 (1)
Stoich.:	AB2C5D8 (1)
Weight, g/mol:	123.984656
ΔH_f, kcal/mol:	0.36
Dipole, Da:	4.18
IP(EA), eV:	-9.9(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1,4-dichlorobut-2-ene

Drug info:

PubChemData

Smile

C1=CN=CC2=C1C=C(O2)C=O

DOS

IR

Vibrations