Geometry & MOs

Info

ID:	411660
PubChem CID:	135084494
Reduced:	ClO2H9C12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	6.63
Dipole, Da:	1.24
IP(EA), eV:	-9.26(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-(2,2-dimethyl-1-phenylbut-3-enylidene)amino] acetate

Drug info:

PubChemData

Smile

C=CC(=O)OCC1=CC=CC=C1C#CCl

DOS

IR

Vibrations