Geometry & MOs

Info

ID:	146773
PubChem CID:	53747510
Reduced:	NO6C23H23 (1)
Stoich.:	AB6C23D23 (1)
Weight, g/mol:	301.147807
ΔH_f, kcal/mol:	-94.77
Dipole, Da:	5.29
IP(EA), eV:	-6.99(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-anilino-2-(3-fluorophenyl)acetate

Drug info:

PubChemData

Smile

CCCCN1C2=C3C=C4C(=CC3=C(C2=C5C=C(C(=CC5=C1O)OC)OC)O)COO4

DOS

IR

Vibrations