Geometry & MOs

Info

ID:	44229
PubChem CID:	10502104
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	418.06411
ΔH_f, kcal/mol:	-42.12
Dipole, Da:	3.29
IP(EA), eV:	-8.56(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-(4-iodophenyl)ethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CNC(C2=CC(=C(C=C21)O)O)C3=CC=CC=C3N

DOS

IR

Vibrations