Geometry & MOs

Info

ID:	148068
PubChem CID:	53787730
Reduced:	N2O9C11H18 (1)
Stoich.:	A2B9C11D18 (1)
Weight, g/mol:	490.283158
ΔH_f, kcal/mol:	-417.37
Dipole, Da:	3.63
IP(EA), eV:	-9.84(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[3-(cyclodecylamino)-3-oxo-2-phenylprop-1-enyl]anilino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(CN(C(CC(=O)O)C(=O)O)C(CC(=O)O)C(=O)O)(N)O

DOS

IR

Vibrations