Geometry & MOs

Info

ID:	422754
PubChem CID:	135118355
Reduced:	O3N4C24H32 (1)
Stoich.:	A3B4C24D32 (1)
Weight, g/mol:	372.168522
ΔH_f, kcal/mol:	-52.59
Dipole, Da:	6.64
IP(EA), eV:	-8.67(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[carboxy-(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CCN2CCC[C@H]([C@H]2C1)CNC(=O)C3=C(ON=C3N4CCOCC4)C5=CC=CC=C5

DOS

IR

Vibrations