Geometry & MOs

Info

ID:	218266
PubChem CID:	85089106
Reduced:	NO2C29H49 (1)
Stoich.:	AB2C29D49 (1)
Weight, g/mol:	444.04337
ΔH_f, kcal/mol:	-156.42
Dipole, Da:	5.39
IP(EA), eV:	-9.04(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 9,9-dimethyl-6-oxo-4-phenyl-4lambda3-ioda-8,10-dioxatricyclo[5.3.0.02,5]decane-5-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2(CCC3C(=CCC4C3(CCC(C4(C)CCCN)C(C)C)C)C2C1C)C(=O)O

DOS

IR

Vibrations