Geometry & MOs

Info

ID:	204493
PubChem CID:	79972009
Reduced:	N2S2O3H12C13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-28.7
Dipole, Da:	3.8
IP(EA), eV:	-8.93(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(3-cyclopropylphenyl)methyl]piperazin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CSC(CS1)C2=NOC(=N2)C3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations