Geometry & MOs

Info

ID:

38142

PubChem CID:

8027401

Reduced:

NO2H10C14 (1)

Stoich.:

AB2C10D14 (1)

Weight, g/mol:

128.143925

ΔHf, kcal/mol:

8.69

Dipole, Da:

12.86

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.314550

Charge, e:

 1

Chem-info

IUPAC name:

(3R)-3-butylpyrrolidin-1-ium

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C(N2)C(=O)[O-])C3=CC=CC=C13

DOS

IR

Vibrations