Geometry & MOs

Info

ID:	417674
PubChem CID:	135102477
Reduced:	ClO3N4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	378.134635
ΔH_f, kcal/mol:	-99.04
Dipole, Da:	2.43
IP(EA), eV:	-9.13(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-4-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations