Geometry & MOs

Info

ID:	150042
PubChem CID:	53789727
Reduced:	O3F4H10C14 (1)
Stoich.:	A3B4C10D14 (1)
Weight, g/mol:	316.131074
ΔH_f, kcal/mol:	-297.28
Dipole, Da:	2.01
IP(EA), eV:	-9.02(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-butyl-4-methylphenyl) 3,4,5-trihydroxybenzoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)OC(=O)CC(F)F)C=C1OC(F)F

DOS

IR

Vibrations