Geometry & MOs

Info

ID:	407742
PubChem CID:	135080497
Reduced:	ON2C9H10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	196.005785
ΔH_f, kcal/mol:	8.55
Dipole, Da:	3.01
IP(EA), eV:	-8.32(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,4S)-4,5-dichloropent-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CNC2=C1C=CC=N2

DOS

IR

Vibrations