Geometry & MOs

Info

ID:	159809
PubChem CID:	57288773
Reduced:	N2O4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	410.220557
ΔH_f, kcal/mol:	-156.4
Dipole, Da:	1.33
IP(EA), eV:	-9.74(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-hydroxy-3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]but-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)OC(=O)[C@H](CCC(=O)N)N

DOS

IR

Vibrations