Geometry & MOs

Info

ID:	410769
PubChem CID:	135083570
Reduced:	NSO2C11H23 (1)
Stoich.:	ABC2D11E23 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-112.38
Dipole, Da:	4.01
IP(EA), eV:	-8.3(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxyhex-3-yn-2-yl acetate

Drug info:

PubChemData

Smile

CC[C@H](C/C(=N\[S@](=O)C(C)(C)C)/CC)O

DOS

IR

Vibrations