Geometry & MOs

Info

ID:

182945

PubChem CID:

76960486

Reduced:

NO4C23H45 (2)

Stoich.:

AB4C23D45 (2)

Weight, g/mol:

644.1436

ΔHf, kcal/mol:

-485.26

Dipole, Da:

6.74

IP(EA), eV:

 -8.22(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R,15S)-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),3,5-tetraen-5-ol;(11S,15R)-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),3,5-tetraen-5-ol;dibromide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.CCCCCCCCCCCCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C

DOS

IR

Vibrations