Geometry & MOs

Info

ID:	390876
PubChem CID:	135001396
Reduced:	OC11H20 (1)
Stoich.:	AB11C20 (1)
Weight, g/mol:	562.09647
ΔH_f, kcal/mol:	-55.03
Dipole, Da:	2.77
IP(EA), eV:	-9.24(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(4-cyano-2-nitrophenyl)-4-(4-ethyl-3-iodophenyl)-4-methyl-3-oxopentanoate

Drug info:

PubChemData

Smile

CCCCCCC=C/C=C/CO

DOS

IR

Vibrations