Geometry & MOs

Info

ID:	321110
PubChem CID:	126664910
Reduced:	SN2C28H59 (1)
Stoich.:	AB2C28D59 (1)
Weight, g/mol:	414.359671
ΔH_f, kcal/mol:	-66.6
Dipole, Da:	2.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751665
Charge, e:	1

Chem-info

IUPAC name:

cyanocyanamide;1-dodecyl-1-ethylpyrrolidin-1-ium;pyridine

Drug info:

PubChemData

Smile

CN(C)CCCCCCCCCC[N+]1(CCCCC1)CCCCCCCCCCCS

DOS

IR

Vibrations