Geometry & MOs

Info

ID:	185916
PubChem CID:	77368778
Reduced:	O5C21H26 (1)
Stoich.:	A5B21C26 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-176.15
Dipole, Da:	4.55
IP(EA), eV:	-8.86(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-benzylidene-3,6-dioxo-1-pentylpiperazin-2-yl)acetic acid

Drug info:

PubChemData

Smile

CC1C=CC(=C(C1=CC2=CC=CC=C2)C)C=C(C(C(C(CO)O)O)O)O

DOS

IR

Vibrations