Geometry & MOs

Info

ID:

440926

PubChem CID:

135232271

Reduced:

OH26C27 (1)

Stoich.:

AB26C27 (1)

Weight, g/mol:

509.177964

ΔHf, kcal/mol:

78.46

Dipole, Da:

2.22

IP(EA), eV:

-8.03(-0.72)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-(3-phenylphenyl)-27-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(28),21,23,25-tridecaene

Drug info:

PubChemData

Smile

C/C=C\C1=C(C(=C)/C(=C/2\C(=C)C3=C(C(=C2/C=C\C)C)C4=CC=CC=C4O3)/C1)C

DOS

IR

Vibrations