Geometry & MOs

Info

ID:	424222
PubChem CID:	135121795
Reduced:	BrNO2C22H26 (1)
Stoich.:	ABC2D22E26 (1)
Weight, g/mol:	694.14922
ΔH_f, kcal/mol:	-2.74
Dipole, Da:	13.64
IP(EA), eV:	-7.91(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl-[2-[4-[(Z)-4-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]hex-3-en-3-yl]phenoxy]ethyl]azanium;diiodide

Drug info:

PubChemData

Smile

CC[N+](CC)(CC#C)CC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2.[Br-]

DOS

IR

Vibrations