Geometry & MOs

Info

ID:	11545
PubChem CID:	117398
Reduced:	NO4C25H31 (1)
Stoich.:	AB4C25D31 (1)
Weight, g/mol:	409.225308
ΔH_f, kcal/mol:	-152.37
Dipole, Da:	2.05
IP(EA), eV:	-8.68(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-[3-(3-acetyloxyphenyl)-3-propylpyrrolidin-1-yl]ethyl]phenyl] acetate

Drug info:

PubChemData

Smile

CCCC1(CCN(C1)CCC2=CC=C(C=C2)OC(=O)C)C3=CC(=CC=C3)OC(=O)C

DOS

IR

Vibrations