Geometry & MOs

Info

ID:	394746
PubChem CID:	135023674
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	-97.43
Dipole, Da:	1.63
IP(EA), eV:	-9.64(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-1-phenyloct-7-en-1-yn-3-yl] acetate

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C(C)C)NC(=O)OCC1=CC=CC=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations