Geometry & MOs

Info

ID:

221775

PubChem CID:

85286131

Reduced:

NO5C39H57 (1)

Stoich.:

AB5C39D57 (1)

Weight, g/mol:

619.423674

ΔHf, kcal/mol:

-199.21

Dipole, Da:

4.36

IP(EA), eV:

 -8.6(0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,4,6-tritert-butylphenyl) 4-(5,5-dimethyl-1,3-dioxan-2-ylidene)-1-phenylmethoxy-3-propan-2-ylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1C(=C2OCC(CO2)(C)C)CC(N1OCC3=CC=CC=C3)C(=O)OC4=C(C=C(C=C4C(C)(C)C)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations