Geometry & MOs

Info

ID:	249409
PubChem CID:	103089220
Reduced:	OSN2C13H26 (1)
Stoich.:	ABC2D13E26 (1)
Weight, g/mol:	354.037182
ΔH_f, kcal/mol:	-79.44
Dipole, Da:	4.47
IP(EA), eV:	-8.56(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,4-dichloro-3-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CSCCCC(C(=O)N)NC1CCCCCC1

DOS

IR

Vibrations