Geometry & MOs

Info

ID:	399374
PubChem CID:	135039962
Reduced:	ON3C8H9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	265.063634
ΔH_f, kcal/mol:	76.87
Dipole, Da:	4.27
IP(EA), eV:	-9.79(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-chloro-2-(3-chloropropyl)-2-cyanopentanoate

Drug info:

PubChemData

Smile

C[C@](C=O)(C1C=CC=C1)N=[N+]=[N-]

DOS

IR

Vibrations