Geometry & MOs

Info

ID:

84221

PubChem CID:

49865060

Reduced:

Cl3N3O4C32H38 (1)

Stoich.:

A3B3C4D32E38 (1)

Weight, g/mol:

649.247412

ΔHf, kcal/mol:

-116.44

Dipole, Da:

4.84

IP(EA), eV:

 -8.91(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)C[C@H](CN)C(=O)N(CC3=C(C=NC(=C3)CCCOC)Cl)C4CC4)Cl

DOS

IR

Vibrations