Geometry & MOs

Info

ID:	287695
PubChem CID:	104252111
Reduced:	NSO3C13H27 (1)
Stoich.:	ABC3D13E27 (1)
Weight, g/mol:	252.163791
ΔH_f, kcal/mol:	-168.13
Dipole, Da:	4.27
IP(EA), eV:	-8.76(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-(5-fluoropyridin-3-yl)-2-(oxan-2-yl)ethanamine

Drug info:

PubChemData

Smile

CCNC(CCCS(=O)(=O)C)CC1CCCCO1

DOS

IR

Vibrations