Geometry & MOs

Info

ID:	261843
PubChem CID:	103254865
Reduced:	NO4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	295.082013
ΔH_f, kcal/mol:	-154.12
Dipole, Da:	5.21
IP(EA), eV:	-9.43(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2,4,6-trifluoroanilino)methyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(OC(=C1)CNC(C)CCOC)C(=O)O

DOS

IR

Vibrations