Geometry & MOs

Info

ID:	262020
PubChem CID:	103266600
Reduced:	BrFNO2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	273.116507
ΔH_f, kcal/mol:	-119.48
Dipole, Da:	1.29
IP(EA), eV:	-8.89(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-fluoro-6-methylanilino)methyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)NCC(C(=O)OC)Br

DOS

IR

Vibrations