Geometry & MOs

Info

ID:

193893

PubChem CID:

78451775

Reduced:

FO2N4C24H30 (1)

Stoich.:

AB2C4D24E30 (1)

Weight, g/mol:

190.159575

ΔHf, kcal/mol:

-58.07

Dipole, Da:

13.11

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.168918

Charge, e:

 1

Chem-info

IUPAC name:

2-(4-propan-2-ylphenyl)pyrrolidin-1-ium

Drug info:

PubChemData

Smile

CC1=C(C2=NC(=O)C(C=C2C=C1)CN(CCC[NH+](C)C)C(=O)NC3=CC=CC=C3F)C

DOS

IR

Vibrations