Geometry & MOs

Info

ID:	182052
PubChem CID:	76833762
Reduced:	NO4C25H41 (1)
Stoich.:	AB4C25D41 (1)
Weight, g/mol:	485.294137
ΔH_f, kcal/mol:	-216.86
Dipole, Da:	2.71
IP(EA), eV:	-9.31(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[1-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]propyl]-4-fluoro-5-methylphenyl]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCC(CCC(C(=O)CC(CC1=CC=CC=C1)COC)NC(=O)C)O

DOS

IR

Vibrations