Geometry & MOs

Info

ID:	440273
PubChem CID:	135230204
Reduced:	FS4N5O10C48H50 (1)
Stoich.:	AB4C5D10E48F50 (1)
Weight, g/mol:	253.251798
ΔH_f, kcal/mol:	-247.06
Dipole, Da:	3.43
IP(EA), eV:	-9.19(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-ethylcyclohexyl)amino]ethyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC3=NC=CC(=C3)C4=CC=C(O4)CN(CC5=CC=C(C=C5)F)S(=O)(=O)C6=CC=C(C=C6)S(=O)(=O)N(CC)CC7=CC=CC=C7

DOS

IR

Vibrations