Geometry & MOs

Info

ID:	43098
PubChem CID:	10318475
Reduced:	O7C21H30 (1)
Stoich.:	A7B21C30 (1)
Weight, g/mol:	394.240248
ΔH_f, kcal/mol:	-289.94
Dipole, Da:	3.47
IP(EA), eV:	-9.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-N-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C/C=C/C=O)(C[C@H]1[C@@H](CCC12OCCO2)C=C)C(=O)OCC

DOS

IR

Vibrations