Geometry & MOs

Info

ID:	125832
PubChem CID:	50940896
Reduced:	O2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	10.8
Dipole, Da:	4.09
IP(EA), eV:	-8.7(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyloct-3-yn-2-yl acetate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CC(=NC(=N2)C3=CC=CC=C3OC)N

DOS

IR

Vibrations