Geometry & MOs

Info

ID:	187791
PubChem CID:	77624195
Reduced:	O3C15H19 (2)
Stoich.:	A3B15C19 (2)
Weight, g/mol:	596.286192
ΔH_f, kcal/mol:	-231.02
Dipole, Da:	1.76
IP(EA), eV:	-9.07(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenoxy)-3-[4-[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]ethoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCCC(C1=CC=CC=C1C(CCC)C2=C(C=C(C=C2CO)O)CO)C3=C(C=C(C=C3CO)O)CO

DOS

IR

Vibrations