Geometry & MOs

Info

ID:	445165
PubChem CID:	135264753
Reduced:	NF2O4C19H27 (1)
Stoich.:	AB2C4D19E27 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-266.58
Dipole, Da:	2.0
IP(EA), eV:	-9.19(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-5-methyl-3-methylidene-4-oxooctanoic acid

Drug info:

PubChemData

Smile

C[C@]1([C@@](O[C@H]2[C@H](O1)CN(CC2C(F)F)CC3=CC=CC=C3)(C)OC)OC

DOS

IR

Vibrations