Geometry & MOs

Info

ID:

309890

PubChem CID:

126565186

Reduced:

ON7C30H33 (1)

Stoich.:

AB7C30D33 (1)

Weight, g/mol:

629.316604

ΔHf, kcal/mol:

127.75

Dipole, Da:

7.23

IP(EA), eV:

 -7.89(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-7-(5-piperidin-4-yloxypyridin-3-yl)-3,4-dihydroisoquinoline

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CC(=CN=C6)OC7CCNCC7)NN4)/C=C32

DOS

IR

Vibrations