Geometry & MOs

Info

ID:

176243

PubChem CID:

76017135

Reduced:

O5C18H19 (2)

Stoich.:

A5B18C19 (2)

Weight, g/mol:

633.2041

ΔHf, kcal/mol:

-310.38

Dipole, Da:

3.87

IP(EA), eV:

 -8.96(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

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;bromide

Drug info:

PubChemData

Smile

C1C2C3C(C4(O2)COC5(CO4)C6C(C(O5)COCC7=CC=CC=C7CO1)OCC8=CC=CC=C8CO6)OCC9=CC=CC=C9CO3

DOS

IR

Vibrations