Geometry & MOs

Info

ID:	320861
PubChem CID:	126663921
Reduced:	O3H10C11 (1)
Stoich.:	A3B10C11 (1)
Weight, g/mol:	417.11648
ΔH_f, kcal/mol:	-76.45
Dipole, Da:	4.66
IP(EA), eV:	-9.57(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-propyl-2-adamantyl) 2-(aziridin-2-yl)-2-iodopropanoate

Drug info:

PubChemData

Smile

COCC1=CC2=C(C=C1)C(=O)C=CO2

DOS

IR

Vibrations