Geometry & MOs

Info

ID:	258
PubChem CID:	2437
Reduced:	ClNO4C19H22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	363.123736
ΔH_f, kcal/mol:	-143.65
Dipole, Da:	5.77
IP(EA), eV:	-9.4(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)OCC(=O)O)NCC(C2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations