Geometry & MOs

Info

ID:	3437
PubChem CID:	9656
Reduced:	INO2C16H26 (1)
Stoich.:	ABC2D16E26 (1)
Weight, g/mol:	391.10083
ΔH_f, kcal/mol:	-62.75
Dipole, Da:	10.19
IP(EA), eV:	-7.24(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-3-(4-methoxyphenyl)hex-4-enyl]-trimethylazanium;iodide

Drug info:

PubChemData

Smile

CC=CC(CC[N+](C)(C)C)(C1=CC=C(C=C1)OC)O.[I-]

DOS

IR

Vibrations