Geometry & MOs

Info

ID:

421340

PubChem CID:

135115803

Reduced:

N4O4C19H27 (2)

Stoich.:

A4B4C19D27 (2)

Weight, g/mol:

357.185255

ΔHf, kcal/mol:

-332.76

Dipole, Da:

9.36

IP(EA), eV:

 -9.12(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[1-(4-ethoxy-3-fluorophenyl)ethylamino]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)NC(=O)CCN4C(=C(C(=N4)C)C(=O)C)C)O

DOS

IR

Vibrations