Geometry & MOs

Info

ID:	394615
PubChem CID:	135023289
Reduced:	NO6C22H27 (1)
Stoich.:	AB6C22D27 (1)
Weight, g/mol:	256.14633
ΔH_f, kcal/mol:	-129.17
Dipole, Da:	9.78
IP(EA), eV:	-9.3(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5R)-9-phenylnon-1-en-6-yn-5-yl] acetate

Drug info:

PubChemData

Smile

CC1=C(OC(=C(C1=O)C)OC)C2C/C(=C/[C@H](C)C[C@@H]3CC=C(C=C3)[N+](=O)[O-])/CO2

DOS

IR

Vibrations