Geometry & MOs

Info

ID:	412919
PubChem CID:	135085856
Reduced:	NaSO4C7H11 (1)
Stoich.:	ABC4D7E11 (1)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	-185.29
Dipole, Da:	9.44
IP(EA), eV:	-10.48(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5-oxohexan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C[C@H](C#C)OS(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations