Geometry & MOs

Info

ID:	203587
PubChem CID:	79849349
Reduced:	N3C17H35 (1)
Stoich.:	A3B17C35 (1)
Weight, g/mol:	279.049606
ΔH_f, kcal/mol:	-40.8
Dipole, Da:	2.28
IP(EA), eV:	-8.59(2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)aniline

Drug info:

PubChemData

Smile

CCN(CC)C1CCN(C1)CC2CCCC(C2N)(C)C

DOS

IR

Vibrations