Geometry & MOs

Info

ID:

166112

PubChem CID:

74639638

Reduced:

ClON6H23C25 (1)

Stoich.:

ABC6D23E25 (1)

Weight, g/mol:

512.01633

ΔHf, kcal/mol:

127.75

Dipole, Da:

7.68

IP(EA), eV:

 -8.75(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(3-bromo-4-fluorophenyl)-4-chloro-11-pyridin-3-yl-8-oxa-12,13,14,15,17-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,16-pentaene

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2C3=C(C4=C(O2)C=CC(=C4)Cl)N=C5NNNN5C3C6=CN=CC=C6

DOS

IR

Vibrations