Geometry & MOs

Info

ID:

325433

PubChem CID:

126683260

Reduced:

FON2H35C51 (1)

Stoich.:

ABC2D35E51 (1)

Weight, g/mol:

422.04186

ΔHf, kcal/mol:

123.76

Dipole, Da:

1.5

IP(EA), eV:

 -7.92(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[3-(6-bromopyridin-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=C(C=C8)F)C9=CC1=C(C=C9)C2=CC=CC=C2O1)C

DOS

IR

Vibrations