Geometry & MOs

Info

ID:

322983

PubChem CID:

126671677

Reduced:

NOC18H30 (1)

Stoich.:

ABC18D30 (1)

Weight, g/mol:

246.185789

ΔHf, kcal/mol:

-25.22

Dipole, Da:

12.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.054152

Charge, e:

 1

Chem-info

IUPAC name:

cyclohexyl-dimethyl-phenacylazanium

Drug info:

PubChemData

Smile

CCCCCCCC[N+](C)(C)CC(=O)C1=CC=CC=C1

DOS

IR

Vibrations