Geometry & MOs

Info

ID:	29510
PubChem CID:	834611
Reduced:	ClN2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	342.210742
ΔH_f, kcal/mol:	-52.3
Dipole, Da:	3.38
IP(EA), eV:	-8.96(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)NC2=C(C(=CC=C2)Cl)N3CCOCC3

DOS

IR

Vibrations