Geometry & MOs

Info

ID:	412434
PubChem CID:	135085329
Reduced:	BON3F4C21H22 (1)
Stoich.:	ABC3D4E21F22 (1)
Weight, g/mol:	367.14514
ΔH_f, kcal/mol:	-316.28
Dipole, Da:	12.03
IP(EA), eV:	-9.7(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R)-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

[B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2C=[N+]3C4[C@H](CC5=CC=CC=C45)OCC3=N2)C

DOS

IR

Vibrations