Geometry & MOs

Info

ID:

313968

PubChem CID:

126619262

Reduced:

N2C29H33 (2)

Stoich.:

A2B29C33 (2)

Weight, g/mol:

585.217618

ΔHf, kcal/mol:

108.07

Dipole, Da:

1.36

IP(EA), eV:

 -8.18(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(cyclopenten-1-yl)-N-[3-fluoro-4-[(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1,2-dimethyl-4-oxoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCN1C2=C(C=C(C=C2)C(=C)C3=CN=C(C=C3)C4=NC=C(C=C4)C(=C)C5=CC6=C(C=C5)N(C7=CC=CC=C76)CCCCCCCCCC)C8=CC=CC=C81

DOS

IR

Vibrations