Geometry & MOs

Info

ID:	83324
PubChem CID:	49857451
Reduced:	FNO3C17H18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	250.039672
ΔH_f, kcal/mol:	-142.33
Dipole, Da:	7.09
IP(EA), eV:	-8.78(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[1-(4-chlorophenyl)prop-2-ynoxy]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C/C1=CN(C2=C(C1=O)C=C(C=C2)F)C

DOS

IR

Vibrations