Geometry & MOs

Info

ID:	261661
PubChem CID:	103244178
Reduced:	N2O3C11H18 (1)
Stoich.:	A2B3C11D18 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	-84.61
Dipole, Da:	6.39
IP(EA), eV:	-9.58(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[1-(4-fluorophenyl)ethylamino]methyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CCC(C(C)C)NCC1=CC(=NO1)C(=O)O

DOS

IR

Vibrations