Geometry & MOs

Info

ID:

178126

PubChem CID:

76281830

Reduced:

O2N5C26H27 (1)

Stoich.:

A2B5C26D27 (1)

Weight, g/mol:

639.249312

ΔHf, kcal/mol:

16.51

Dipole, Da:

4.09

IP(EA), eV:

 -8.23(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-5-[[3-fluoro-4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyanilino]methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

C1COCCN1CCN2C=CC3=CC(=CN=C32)C(=O)NC4=C(C=CC(=C4)C5=CC=CC=C5)N

DOS

IR

Vibrations