Geometry & MOs

Info

ID:

412317

PubChem CID:

135085202

Reduced:

ClN2O2H9C12 (1)

Stoich.:

AB2C2D9E12 (1)

Weight, g/mol:

948.40022

ΔHf, kcal/mol:

37.72

Dipole, Da:

2.5

IP(EA), eV:

-10.15(-1.32)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

28,34-ditert-butyl-31-chloro-26,36-bis(2,4,6-trimethylphenyl)-30,32-dioxa-23,40-diaza-31-aluminanonacyclo[31.6.2.222,25.02,11.05,10.012,21.013,18.024,29.037,41]tritetraconta-1(40),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28,33,35,37(41),38,42-icosaene

Drug info:

PubChemData

Smile

CC1=C(C(=CC(=N1)Cl)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations