Geometry & MOs

Info

ID:

82498

PubChem CID:

49856105

Reduced:

N11O19C51H83 (1)

Stoich.:

A11B19C51D83 (1)

Weight, g/mol:

193.110279

ΔHf, kcal/mol:

-889.39

Dipole, Da:

13.5

IP(EA), eV:

 -9.4(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzoic acid;pyrrolidine

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N4CC[C@@H]([C@H]4C(=O)N[C@H](C(=O)O[C@@H](CC(=O)N1)CCCCCCCCCC(C)C)[C@@H](C(=O)O)O)O)CO)[C@H](C(=O)O)O)CCCN=C(N)N)O

DOS

IR

Vibrations