Geometry & MOs

Info

ID:	182055
PubChem CID:	76834042
Reduced:	ClO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	481.319209
ΔH_f, kcal/mol:	-158.78
Dipole, Da:	2.6
IP(EA), eV:	-9.39(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[1-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-6-methylphenyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(C1=C(C=C(C=C1)Cl)CCC(=O)OCC)OCC2CO2

DOS

IR

Vibrations