Geometry & MOs

Info

ID:

412443

PubChem CID:

135085338

Reduced:

OSiN3C33H42 (1)

Stoich.:

ABC3D33E42 (1)

Weight, g/mol:

367.14514

ΔHf, kcal/mol:

12.65

Dipole, Da:

4.1

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.785780

Charge, e:

 0

Chem-info

IUPAC name:

(9S)-4-(2,4,6-trimethylphenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene;chloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1N2C=[N+]3[C@H](CCC3=N2)C(C4=CC=CC=C4)(C5=CC=CC=C5)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations