Geometry & MOs

Info

ID:

446285

PubChem CID:

135273799

Reduced:

NH23C35 (1)

Stoich.:

AB23C35 (1)

Weight, g/mol:

333.15175

ΔHf, kcal/mol:

149.22

Dipole, Da:

1.67

IP(EA), eV:

 -8.09(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC4=C3C(=CC=C4)C5=C2C=C6C(=C5)C7=CC=CC=C7N6)C8=CC=CC=C8

DOS

IR

Vibrations