Geometry & MOs

Info

ID:

392804

PubChem CID:

135018012

Reduced:

FN2H17C28 (1)

Stoich.:

AB2C17D28 (1)

Weight, g/mol:

412.157563

ΔHf, kcal/mol:

75.36

Dipole, Da:

3.52

IP(EA), eV:

 -7.98(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(3-methoxyphenyl)-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2)C4=CC5=C(C6=CC=CC=C6N5)C(=C4C=C3)C7=CC=C(C=C7)F

DOS

IR

Vibrations