Geometry & MOs

Info

ID:

297525

PubChem CID:

117619986

Reduced:

OH26C37 (1)

Stoich.:

AB26C37 (1)

Weight, g/mol:

485.21435

ΔHf, kcal/mol:

96.05

Dipole, Da:

3.67

IP(EA), eV:

 -8.1(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13,13,27,27-tetramethyl-4-azanonacyclo[17.13.2.02,14.03,12.05,10.016,33.020,28.021,26.030,34]tetratriaconta-1(33),2(14),3,5,7,9,11,15,17,19(34),20(28),21,23,25,29,31-hexadecaene

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C4C(C2)C=CC5=C4C(=CC6=C5C7=C(O6)C=CC(=C7)C8=CC=CC=C8)C=C3)C9=CC=CC=C91)C

DOS

IR

Vibrations