Geometry & MOs

Info

ID:	425631
PubChem CID:	135127034
Reduced:	NO5C13H27 (1)
Stoich.:	AB5C13D27 (1)
Weight, g/mol:	456.274998
ΔH_f, kcal/mol:	-127.38
Dipole, Da:	1.51
IP(EA), eV:	-9.12(0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[[4-[[2-(hydroxymethyl)-2-methyl-3-(2-methylbutanoyloxy)propanoyl]oxymethyl]phenyl]methyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1(C(ON(O1)OOC(C)(C)C(C)(C)OC)(C)C)C

DOS

IR

Vibrations