Geometry & MOs

Info

ID:

145102

PubChem CID:

53461873

Reduced:

NO13C34H59 (1)

Stoich.:

AB13C34D59 (1)

Weight, g/mol:

750.420379

ΔHf, kcal/mol:

-691.98

Dipole, Da:

7.08

IP(EA), eV:

 -9.7(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)ethyl 4-(butylamino)benzoate;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;methyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC(C)C(C(CC(C)CCCCCCCCC(C(C)N)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O

DOS

IR

Vibrations