Geometry & MOs

Info

ID:

416499

PubChem CID:

135089514

Reduced:

N7O7C31H43 (1)

Stoich.:

A7B7C31D43 (1)

Weight, g/mol:

357.205242

ΔHf, kcal/mol:

-295.97

Dipole, Da:

8.66

IP(EA), eV:

 -9.77(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)C(=O)C3=CC(=O)N(C(=O)N3C)C)C(C)C

DOS

IR

Vibrations