Geometry & MOs

Info

ID:	440841
PubChem CID:	135231809
Reduced:	N9C29H45 (1)
Stoich.:	A9B29C45 (1)
Weight, g/mol:	173.123821
ΔH_f, kcal/mol:	54.31
Dipole, Da:	5.18
IP(EA), eV:	-8.63(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-methyl-1-methylsulfanylpiperidine

Drug info:

PubChemData

Smile

C1CCC(CC1)NCCCNCCCC2=NNC(=C2)CNC3=NC4=CC=CC=C4C(=N3)NC5CCNCC5

DOS

IR

Vibrations