Geometry & MOs

Info

ID:

168289

PubChem CID:

74945522

Reduced:

F3N6C32H35 (1)

Stoich.:

A3B6C32D35 (1)

Weight, g/mol:

464.268845

ΔHf, kcal/mol:

-94.72

Dipole, Da:

3.69

IP(EA), eV:

 -8.18(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-pyrrolidin-2-yl-12-[3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene

Drug info:

PubChemData

Smile

C1CC(NC1)C2=NC3=C(N2)CCCC4=C3C=C(C=C4)C5=CC=C(C=C5)C6=C(NC(=N6)C7CCCN7)CCC(F)(F)F

DOS

IR

Vibrations