Geometry & MOs

Info

ID:	412435
PubChem CID:	135085330
Reduced:	ClON3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	444.1452
ΔH_f, kcal/mol:	42.65
Dipole, Da:	8.83
IP(EA), eV:	-7.27(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R)-5-methyl-4-(2,4,6-trimethylphenyl)-8-oxa-4-aza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene;perchlorate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations