Geometry & MOs

Info

ID:	402029
PubChem CID:	135053928
Reduced:	FOC5H9 (3)
Stoich.:	ABC5D9 (3)
Weight, g/mol:	317.142722
ΔH_f, kcal/mol:	-349.47
Dipole, Da:	4.01
IP(EA), eV:	-10.24(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate

Drug info:

PubChemData

Smile

CCCCCC[C@]1([C@]([C@@H](OC(O1)(C)C)C)(C(F)(F)F)O)C

DOS

IR

Vibrations