Geometry & MOs

Info

ID:	59450
PubChem CID:	24874893
Reduced:	O3N4C30H32 (1)
Stoich.:	A3B4C30D32 (1)
Weight, g/mol:	397.129215
ΔH_f, kcal/mol:	-65.81
Dipole, Da:	4.52
IP(EA), eV:	-8.43(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-chlorophenoxy)phenoxy]propanoic acid;2-(2-hydroxyethylamino)ethanol

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NCC2=CN(C=C2)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=C(C=C4C)C)C

DOS

IR

Vibrations