Geometry & MOs

Info

ID:	413048
PubChem CID:	135085992
Reduced:	PF2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	260.141245
ΔH_f, kcal/mol:	-247.12
Dipole, Da:	5.25
IP(EA), eV:	-9.44(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-7-(3-methylphenyl)-7-oxohept-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)P(=O)(OC1=CC(=CC=C1)F)OC2=CC(=CC=C2)F

DOS

IR

Vibrations