Geometry & MOs

Info

ID:	181972
PubChem CID:	76822103
Reduced:	ClNO4C29H40 (1)
Stoich.:	ABC4D29E40 (1)
Weight, g/mol:	543.336002
ΔH_f, kcal/mol:	-197.21
Dipole, Da:	2.48
IP(EA), eV:	-8.7(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[4-ethoxy-2-[1-[3-[2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropoxy]ethyl]phenyl]pentanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=C(C=CC(=C1)C)C(C)OCC(CN2CCCC2CC3=CC(=C(C=C3)C)Cl)O

DOS

IR

Vibrations