Geometry & MOs

Info

ID:	218693
PubChem CID:	85089818
Reduced:	O5C32H32 (1)
Stoich.:	A5B32C32 (1)
Weight, g/mol:	496.236208
ΔH_f, kcal/mol:	-161.2
Dipole, Da:	2.49
IP(EA), eV:	-8.78(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-benzyl-4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pyrrolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2OC(=O)C4=CC=CC=C4)CCC5=C3C=CC(=C5OC(=O)C6=CC=CC=C6)O

DOS

IR

Vibrations