Geometry & MOs

Info

ID:

321112

PubChem CID:

126664913

Reduced:

SN3C13H26 (1)

Stoich.:

AB3C13D26 (1)

Weight, g/mol:

416.350169

ΔHf, kcal/mol:

7.77

Dipole, Da:

2.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.768270

Charge, e:

 1

Chem-info

IUPAC name:

cyanocyanamide;1-dodecyl-1-ethylpiperidin-1-ium

Drug info:

PubChemData

Smile

C1=C[N+](=CN1CCS)CCCCCCCCN

DOS

IR

Vibrations