Geometry & MOs

Info

ID:

447708

PubChem CID:

135284951

Reduced:

N3O3C21H22 (2)

Stoich.:

A3B3C21D22 (2)

Weight, g/mol:

485.217538

ΔHf, kcal/mol:

-67.67

Dipole, Da:

10.93

IP(EA), eV:

 -8.49(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-formyl-8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-yl]piperazine-1-carbaldehyde

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C2=C(C=CC(=C2C=C1OCCC3=CC=C(C=C3)OC)OC[C@H]4CCCN4C5=NC=NC6=C5NC=N6)CCC7=CC=C(C=C7)OC)C=O

DOS

IR

Vibrations