Geometry & MOs

Info

ID:

160141

PubChem CID:

57304849

Reduced:

OC7H11 (4)

Stoich.:

AB7C11 (4)

Weight, g/mol:

524.312446

ΔHf, kcal/mol:

-203.05

Dipole, Da:

4.71

IP(EA), eV:

 -9.95(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

methyl (2R)-1-[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonylamino]propanoyl]-2-methylpyrrolidin-1-ium-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC1[C@@H]2[C@H]([C@@H](CC[C@@]2(C1=CCCC(=O)O)C)O)C#CC(C3CCCCC3)O

DOS

IR

Vibrations