Geometry & MOs

Info

ID:	425633
PubChem CID:	135127037
Reduced:	INO3C4H8 (1)
Stoich.:	ABC3D4E8 (1)
Weight, g/mol:	453.276986
ΔH_f, kcal/mol:	-125.31
Dipole, Da:	2.1
IP(EA), eV:	-9.59(-2.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[[2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylbutanoyloxy)propanoyl]oxymethyl]phenyl]methyl-trimethylphosphanium

Drug info:

PubChemData

Smile

C(CO)COC(=O)NI

DOS

IR

Vibrations