Geometry & MOs

Info

ID:	181593
PubChem CID:	76764252
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	213.055656
ΔH_f, kcal/mol:	-54.31
Dipole, Da:	3.55
IP(EA), eV:	-10.75(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-chloro-5-(dimethylamino)-2-prop-2-enylcyclopent-4-ene-1,3-dione

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CC[C@@H](C2=O)C#N

DOS

IR

Vibrations