Geometry & MOs

Info

ID:	444489
PubChem CID:	135262622
Reduced:	BrN2O2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	158.105528
ΔH_f, kcal/mol:	-32.75
Dipole, Da:	6.43
IP(EA), eV:	-9.49(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

piperazin-2-yl propanoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)[NH3+].C1[C@@H]([C@H]1C(=O)[O-])C2=NC=C(C=C2)Br

DOS

IR

Vibrations