Geometry & MOs

Info

ID:	444713
PubChem CID:	135263302
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-116.54
Dipole, Da:	3.87
IP(EA), eV:	-8.23(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-acetylpiperazin-1-yl)pyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C)CC(=O)O

DOS

IR

Vibrations