Geometry & MOs

Info

ID:	351320
PubChem CID:	127280208
Reduced:	SO3N4C18H30 (1)
Stoich.:	AB3C4D18E30 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-134.63
Dipole, Da:	7.19
IP(EA), eV:	-8.96(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-methyl-2-[4-(quinoline-4-carbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CN2CCN(CC2)C(=O)CN3CSCC3=O

DOS

IR

Vibrations