Geometry & MOs

Info

ID:	230179
PubChem CID:	87570363
Reduced:	ClFON3H13C16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	618.413169
ΔH_f, kcal/mol:	1.78
Dipole, Da:	8.37
IP(EA), eV:	-8.53(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-ditert-butyl-4-hydroxyphenyl) propanoate;ethane-1,2-diol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC2=NN=C(C3=C2C=CC=C3F)Cl

DOS

IR

Vibrations