Geometry & MOs

Info

ID:

419440

PubChem CID:

135108186

Reduced:

O3N5C38H47 (1)

Stoich.:

A3B5C38D47 (1)

Weight, g/mol:

411.263425

ΔHf, kcal/mol:

-56.05

Dipole, Da:

8.34

IP(EA), eV:

 -8.78(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCCNC(=O)[C@@H]2C[C@@H](CN2C(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4)N(CCC1)C(=O)C6=CC=CC=C6

DOS

IR

Vibrations