Geometry & MOs

Info

ID:

180367

PubChem CID:

76622589

Reduced:

F3N4O6C29H35 (1)

Stoich.:

A3B4C6D29E35 (1)

Weight, g/mol:

496.172225

ΔHf, kcal/mol:

-363.26

Dipole, Da:

3.95

IP(EA), eV:

 -9.14(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(1-aminoethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-methyl-1,3-dihydroisoindol-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)OC1CC(N(C1)C(=O)C2=C(OC(=N2)C3=C4C=CC(=NC4=C(C=C3)OC)C(F)(F)F)CN)C(=O)OC(C)(C)C

DOS

IR

Vibrations