Geometry & MOs

Info

ID:

447379

PubChem CID:

135282462

Reduced:

Cl2O2N3H25C29 (1)

Stoich.:

A2B2C3D25E29 (1)

Weight, g/mol:

543.149175

ΔHf, kcal/mol:

37.21

Dipole, Da:

3.41

IP(EA), eV:

 -9.8(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[1-(aminomethyl)cyclopropyl]methoxy]-3-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-4-fluoro-6-(2-hydroxypropan-2-yl)isoindol-1-one

Drug info:

PubChemData

Smile

CC(=C)C1=CC2=C(C=C1)C(N(C2=O)CC3=NC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)OCC5(CC5)CC#N

DOS

IR

Vibrations