Geometry & MOs

Info

ID:	221428
PubChem CID:	85272975
Reduced:	O2F3N3H8C11 (1)
Stoich.:	A2B3C3D8E11 (1)
Weight, g/mol:	307.196986
ΔH_f, kcal/mol:	-167.95
Dipole, Da:	6.36
IP(EA), eV:	-9.99(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfinyl)-N,N-diethyloct-1-en-2-amine

Drug info:

PubChemData

Smile

CC(=O)NC1=NC2=NC(=CC(=O)C2C=C1)C(F)(F)F

DOS

IR

Vibrations