Geometry & MOs

Info

ID:

230577

PubChem CID:

87571420

Reduced:

FO6N10C50H63 (1)

Stoich.:

AB6C10D50E63 (1)

Weight, g/mol:

391.235873

ΔHf, kcal/mol:

-241.3

Dipole, Da:

4.33

IP(EA), eV:

 -7.99(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[5-[1-(3,4-dimethylphenyl)ethylideneamino]oxypentyl]-2-methyl-1,3-dioxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C=C3)[C@H]4CC[C@@H](N4C5=CC(=C(C=C5)N6CCCCC6)F)C7=CC8=C(C=C7)N=C(N8)[C@@H]9CCCN9C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)O

DOS

IR

Vibrations