Geometry & MOs

Info

ID:	405676
PubChem CID:	135074962
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	334.156895
ΔH_f, kcal/mol:	-53.74
Dipole, Da:	4.17
IP(EA), eV:	-9.38(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-phenyl-3-(1-phenylhex-1-yn-3-yloxy)prop-2-enoate

Drug info:

PubChemData

Smile

C1COC(=O)N1C#CCCOCC2=CC=CC=C2

DOS

IR

Vibrations