Geometry & MOs

Info

ID:	161440
PubChem CID:	57391684
Reduced:	ClN3O4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	476.16714
ΔH_f, kcal/mol:	-98.33
Dipole, Da:	9.74
IP(EA), eV:	-9.0(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[1-[1-[6-(trifluoromethyl)pyridin-3-yl]pyrazol-4-yl]oxybutyl]benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)OC2=CN(N=C2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations