Geometry & MOs

Info

ID:	412436
PubChem CID:	135085331
Reduced:	ClN2O5C23H25 (1)
Stoich.:	AB2C5D23E25 (1)
Weight, g/mol:	345.196688
ΔH_f, kcal/mol:	-9.78
Dipole, Da:	14.4
IP(EA), eV:	-9.75(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	1

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2C=[N+]3C4[C@@H](CC5=CC=CC=C45)OCC3=C2C)C.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations