Geometry & MOs

Info

ID:

14355

PubChem CID:

409925

Reduced:

NC12H18 (1)

Stoich.:

AB12C18 (1)

Weight, g/mol:

176.143925

ΔHf, kcal/mol:

29.68

Dipole, Da:

1.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.115014

Charge, e:

 1

Chem-info

IUPAC name:

1,1-dimethyl-2-phenylpyrrolidin-1-ium

Drug info:

PubChemData

Smile

C[N+]1(CCCC1C2=CC=CC=C2)C

DOS

IR

Vibrations