Geometry & MOs

Info

ID:	361548
PubChem CID:	127303740
Reduced:	S2O4N5C15H19 (1)
Stoich.:	A2B4C5D15E19 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-46.64
Dipole, Da:	8.2
IP(EA), eV:	-9.35(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-(oxan-2-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2CNC(=O)C3=CSC(=C3)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations