Geometry & MOs

Info

ID:	205931
PubChem CID:	80178906
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	278.215827
ΔH_f, kcal/mol:	-15.94
Dipole, Da:	8.65
IP(EA), eV:	-9.16(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,3-diethylpyrrolidin-1-yl)-5-fluoro-4-methylphenyl]ethanamine

Drug info:

PubChemData

Smile

CCC1(CCN(C1)CC(=O)NC2=CC=C(C=C2)C#N)CC

DOS

IR

Vibrations