Geometry & MOs

Info

ID:	338903
PubChem CID:	127259914
Reduced:	O2F3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	437.233286
ΔH_f, kcal/mol:	-244.63
Dipole, Da:	3.75
IP(EA), eV:	-9.7(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-acetamidobutanoyl)-5-chlorononyl] 3-phenylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)OCCC(F)(F)F

DOS

IR

Vibrations