Geometry & MOs

Info

ID:	181971
PubChem CID:	76822007
Reduced:	NCl2O4C28H37 (1)
Stoich.:	AB2C4D28E37 (1)
Weight, g/mol:	501.264587
ΔH_f, kcal/mol:	-196.41
Dipole, Da:	3.06
IP(EA), eV:	-8.81(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-[1-[3-[2-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropoxy]ethyl]-5-methylphenyl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=C(C=CC=C1Cl)C(C)OCC(CN2CCCC2CC3=CC(=C(C=C3)C)Cl)O

DOS

IR

Vibrations