Geometry & MOs

Info

ID:

15122

PubChem CID:

430093

Reduced:

NC24H50 (1)

Stoich.:

AB24C50 (1)

Weight, g/mol:

352.394326

ΔHf, kcal/mol:

-65.24

Dipole, Da:

0.54

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751078

Charge, e:

 1

Chem-info

IUPAC name:

1-ethyl-1-hexadecylazepan-1-ium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC[N+]1(CCCCCC1)CC

DOS

IR

Vibrations