Geometry & MOs

Info

ID:	43625
PubChem CID:	10321559
Reduced:	INO2C21H26 (1)
Stoich.:	ABC2D21E26 (1)
Weight, g/mol:	451.0807
ΔH_f, kcal/mol:	-40.16
Dipole, Da:	3.81
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-(2-diethoxyphosphorylsulfanylethyl)-dimethylazanium;iodide

Drug info:

PubChemData

Smile

C1CN(CCC1O)CCCC2=CC=CC=C2COC3=CC=C(C=C3)I

DOS

IR

Vibrations