Geometry & MOs

Info

ID:

298942

PubChem CID:

117664417

Reduced:

N3O9C42H59 (1)

Stoich.:

A3B9C42D59 (1)

Weight, g/mol:

198.136828

ΔHf, kcal/mol:

-346.49

Dipole, Da:

7.13

IP(EA), eV:

 -8.86(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3a-methyl-5-(methylamino)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN[C@@H]1[C@@H](C([C@@H]([C@@H](C1OCC2=CC=CC=C2)NCC(=O)OC(C)(C)C)OCC3=CC=CC=C3)NCC(CO)O)OCC4=CC=CC=C4

DOS

IR

Vibrations