Geometry & MOs

Info

ID:	181976
PubChem CID:	76822434
Reduced:	ClO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	457.262837
ΔH_f, kcal/mol:	-131.05
Dipole, Da:	2.42
IP(EA), eV:	-9.58(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-[1-[3-[2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropoxy]ethyl]phenyl]propanoate

Drug info:

PubChemData

Smile

CCCC(C1=C(C=CC(=C1)Cl)C=CC(=O)OCC)OCC2CO2

DOS

IR

Vibrations