Geometry & MOs

Info

ID:

448807

PubChem CID:

135293705

Reduced:

N4H42C59 (1)

Stoich.:

A4B42C59 (1)

Weight, g/mol:

684.256549

ΔHf, kcal/mol:

337.31

Dipole, Da:

11.99

IP(EA), eV:

 -6.35(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1'-[4-(4-phenylphenyl)quinolin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

Drug info:

PubChemData

Smile

CC1C=CC2=C(C1C3=CC=C(C=C3)C4=NC(=NC(=N4)C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8(C9=CC=CC=C29)C1=CC=CC=C1N(C1=CC=CC=C81)C1=CC=CC=C1

DOS

IR

Vibrations