Geometry & MOs

Info

ID:	171990
PubChem CID:	75450584
Reduced:	N2S2O4C19H30 (1)
Stoich.:	A2B2C4D19E30 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-181.04
Dipole, Da:	4.32
IP(EA), eV:	-9.18(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,4,4-trimethylcyclohexyl) 1-pyrazin-2-ylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC3(CCCCC3)CCO

DOS

IR

Vibrations