Geometry & MOs

Info

ID:

309398

PubChem CID:

126546000

Reduced:

NH35C43 (1)

Stoich.:

AB35C43 (1)

Weight, g/mol:

478.211724

ΔHf, kcal/mol:

163.09

Dipole, Da:

1.64

IP(EA), eV:

 -7.88(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-[6-(3-aminooxetan-3-yl)pyridin-3-yl]isoquinolin-3-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one

Drug info:

PubChemData

Smile

C/C=C\C=C\1/C(N(C2=C(C=C(C=C12)C3=CC=CC=C3C4=CC=CC=C4)C5=CC=CC=C5C6=CC=CC=C6)C7=CC=CC=C7)C

DOS

IR

Vibrations