Geometry & MOs

Info

ID:

15119

PubChem CID:

430086

Reduced:

NC18H38 (1)

Stoich.:

AB18C38 (1)

Weight, g/mol:

268.300425

ΔHf, kcal/mol:

-37.04

Dipole, Da:

0.44

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751215

Charge, e:

 1

Chem-info

IUPAC name:

1-dodecyl-1-ethylpyrrolidin-1-ium

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+]1(CCCC1)CC

DOS

IR

Vibrations