Geometry & MOs

Info

ID:

2179

PubChem CID:

6127

Reduced:

NC20H24 (1)

Stoich.:

AB20C24 (1)

Weight, g/mol:

278.190875

ΔHf, kcal/mol:

77.11

Dipole, Da:

1.27

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750772

Charge, e:

 1

Chem-info

IUPAC name:

4-benzhydrylidene-1,1-dimethylpiperidin-1-ium

Drug info:

PubChemData

Smile

C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C

DOS

IR

Vibrations