Geometry & MOs

Info

ID:	403907
PubChem CID:	135062507
Reduced:	FN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-147.0
Dipole, Da:	7.54
IP(EA), eV:	-10.85(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[(3R)-oct-1-yn-3-yl]oxyprop-2-enoate

Drug info:

PubChemData

Smile

CC(C)[C@H]1C(OC(=O)N1C(=O)C2(CC2C#N)F)(C)C

DOS

IR

Vibrations