Geometry & MOs

Info

ID:	297623
PubChem CID:	117624031
Reduced:	NOH25C28 (2)
Stoich.:	ABC25D28 (2)
Weight, g/mol:	333.105981
ΔH_f, kcal/mol:	88.02
Dipole, Da:	1.12
IP(EA), eV:	-7.76(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(methylamino)-5-oxohexanoyl]oxypropane-1,2,3-tricarboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C2C3=C(C=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC=C5)C(C2=CC6=C(C7=C(C=C61)C(C8=C7C=CC(=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)(C)C)OCC)(C)C

DOS

IR

Vibrations