Geometry & MOs

Info

ID:	14403
PubChem CID:	410803
Reduced:	NC19H36 (1)
Stoich.:	AB19C36 (1)
Weight, g/mol:	278.284775
ΔH_f, kcal/mol:	-1.32
Dipole, Da:	0.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751892
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[(1,2,3,5-tetramethyl-6-pentylcyclohexa-2,4-dien-1-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCCCCC1C(=CC(=C(C1(C)C[N+](C)(C)C)C)C)C

DOS

IR

Vibrations