Geometry & MOs

Info

ID:	201362
PubChem CID:	79527537
Reduced:	FON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	256.080097
ΔH_f, kcal/mol:	-86.01
Dipole, Da:	2.37
IP(EA), eV:	-8.93(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(piperidin-2-ylmethylsulfanyl)aniline

Drug info:

PubChemData

Smile

C1CC(CCC1CN)C(=O)NC2=CC=CC=C2F

DOS

IR

Vibrations