Geometry & MOs

Info

ID:

378754

PubChem CID:

134224851

Reduced:

BrNH21C36 (2)

Stoich.:

ABC21D36 (2)

Weight, g/mol:

524.11396

ΔHf, kcal/mol:

314.09

Dipole, Da:

2.08

IP(EA), eV:

 -8.03(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(Z)-2-[4-(4-bromophenyl)phenyl]-3-phenylprop-1-enyl]phenanthrene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)C4=C(N3C5=CC=C(C=C5)C6=CC=C(C=C6)Br)C=C7C=C(C=CC7=C4)C8=C(C=CC(=C8)Br)C9=CC=C(C=C9)N1C2=C(C3=CC=CC=C3C3=CC=CC=C32)C2=C1C1=CC=CC=C1C1=CC=CC=C12

DOS

IR

Vibrations