Geometry & MOs

Info

ID:	170329
PubChem CID:	75217443
Reduced:	S2N3O4C15H21 (1)
Stoich.:	A2B3C4D15E21 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-152.12
Dipole, Da:	7.27
IP(EA), eV:	-9.24(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-piperazin-2-ylethyl)benzoic acid

Drug info:

PubChemData

Smile

CCC1(CSC(=N1)C2=CSC(=N2)CNC(=O)OC(C)(C)C)C(=O)O

DOS

IR

Vibrations