Geometry & MOs

Info

ID:	413755
PubChem CID:	135086705
Reduced:	NOF3H14C20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	274.120509
ΔH_f, kcal/mol:	-120.36
Dipole, Da:	3.98
IP(EA), eV:	-9.01(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-8-phenylmethoxyoct-5-ynoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations