Geometry & MOs

Info

ID:

84222

PubChem CID:

49865062

Reduced:

Cl2N3O4C36H41 (1)

Stoich.:

A2B3C4D36E41 (1)

Weight, g/mol:

644.232097

ΔHf, kcal/mol:

-87.58

Dipole, Da:

7.01

IP(EA), eV:

 -8.73(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-(aminomethyl)-N-[[6-(3-cyanopropyl)quinolin-8-yl]methyl]-N-cyclopropyl-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)C[C@H](CN)C(=O)N(CC3=CC(=NC4=CC=CC=C43)CCCOC)C5CC5)Cl

DOS

IR

Vibrations