Geometry & MOs

Info

ID:

176244

PubChem CID:

76017144

Reduced:

BrNOF6C31H38 (1)

Stoich.:

ABCD6E31F38 (1)

Weight, g/mol:

554.285759

ΔHf, kcal/mol:

-342.98

Dipole, Da:

16.34

IP(EA), eV:

 -7.84(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-tert-butyl-8,10-dimethyl-3-phenylmethoxy-1-azoniatricyclo[5.2.1.04,10]decane

Drug info:

PubChemData

Smile

CC1C[N+]2(CC(C3C2(C1CC3)C)(C(C)(C)C)OCC4=CC=CC=C4)CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F.[Br-]

DOS

IR

Vibrations