Geometry & MOs

Info

ID:	413645
PubChem CID:	135086594
Reduced:	CoN2O4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	294.138658
ΔH_f, kcal/mol:	-15.83
Dipole, Da:	29.65
IP(EA), eV:	-10.96(-6.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3-trimethylbutan-2-yl (E)-3-(4-chlorophenyl)-2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C1=C/C(=C/NCCN/C=C/2\C(=O)C=CC=C2)/C(=O)C=C1.O[O].[Co]

DOS

IR

Vibrations