Geometry & MOs

Info

ID:	232752
PubChem CID:	87576886
Reduced:	NOC12H20 (1)
Stoich.:	ABC12D20 (1)
Weight, g/mol:	202.240899
ΔH_f, kcal/mol:	43.39
Dipole, Da:	2.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.785333
Charge, e:	2

Chem-info

IUPAC name:

trimethyl-[6-(trimethylazaniumyl)hexan-2-yl]azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations