Geometry & MOs

Info

ID:	58494
PubChem CID:	24702054
Reduced:	BrFSO2H10C14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	198.209599
ΔH_f, kcal/mol:	-79.44
Dipole, Da:	6.59
IP(EA), eV:	-9.43(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(piperidin-2-ylmethyl)butan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)O)SCC2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations