Geometry & MOs

Info

ID:	322320
PubChem CID:	126669729
Reduced:	FNOH16C19 (1)
Stoich.:	ABCD16E19 (1)
Weight, g/mol:	343.141973
ΔH_f, kcal/mol:	-28.86
Dipole, Da:	4.6
IP(EA), eV:	-9.43(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]benzoic acid

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1)F)C2=NC(=CC3=CC=CC=C32)C(=O)C

DOS

IR

Vibrations