Geometry & MOs

Info

ID:

379646

PubChem CID:

134453690

Reduced:

NH43C62 (1)

Stoich.:

AB43C62 (1)

Weight, g/mol:

649.27695

ΔHf, kcal/mol:

254.19

Dipole, Da:

0.9

IP(EA), eV:

 -8.03(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenyl-3-(10-phenylphenanthren-9-yl)-N-[4-(4-phenylphenyl)phenyl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5C6=CC=CC=C6)C7=CC=CC(=C7)C8=C(C9=CC=CC=C9C1=CC=CC=C18)C1=CC=CC=C1

DOS

IR

Vibrations