Geometry & MOs

Info

ID:

399999

PubChem CID:

135044420

Reduced:

OH13C15 (1)

Stoich.:

AB13C15 (1)

Weight, g/mol:

173.118901

ΔHf, kcal/mol:

41.06

Dipole, Da:

2.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765013

Charge, e:

 1

Chem-info

IUPAC name:

1-deuterio-1-(2-ethynylphenyl)pyrrolidin-1-ium

Drug info:

PubChemData

Smile

[CH2+]C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations