Geometry & MOs

Info

ID:	183826
PubChem CID:	77074724
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-40.3
Dipole, Da:	5.3
IP(EA), eV:	-8.58(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CCN(CC=C(C)C(=O)O)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations