Geometry & MOs

Info

ID:

322985

PubChem CID:

126671679

Reduced:

NOC18H30 (1)

Stoich.:

ABC18D30 (1)

Weight, g/mol:

248.201439

ΔHf, kcal/mol:

-24.68

Dipole, Da:

11.19

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.054498

Charge, e:

 1

Chem-info

IUPAC name:

hexyl-dimethyl-phenacylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations