Geometry & MOs

Info

ID:

312364

PubChem CID:

126604453

Reduced:

NH10C12 (2)

Stoich.:

AB10C12 (2)

Weight, g/mol:

657.314398

ΔHf, kcal/mol:

112.76

Dipole, Da:

2.97

IP(EA), eV:

 -8.49(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[amino-[4-[3-(16-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12,15,18-nonaenyl)phenyl]phenyl]methyl]-2-phenyl-N-(1-phenylethylidene)ethanimidamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C2=CC=CC=C12)C3CC=C4C=CC5=C(C4=N3)N=CC=C5

DOS

IR

Vibrations