Geometry & MOs

Info

ID:	233106
PubChem CID:	87692417
Reduced:	FN2O2H17C20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	270.031535
ΔH_f, kcal/mol:	7.76
Dipole, Da:	5.34
IP(EA), eV:	-8.6(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,1,2,2,3-pentafluoropropoxy)benzoic acid

Drug info:

PubChemData

Smile

CC1(CC2=C(C=CC=C2F)C(=[N+]1[O-])C3=CC4=CC=CC=C4[N+](=C3)[O-])C

DOS

IR

Vibrations