Geometry & MOs

Info

ID:	355606
PubChem CID:	127289364
Reduced:	FON6C17H19 (1)
Stoich.:	ABC6D17E19 (1)
Weight, g/mol:	397.214761
ΔH_f, kcal/mol:	-2.5
Dipole, Da:	8.78
IP(EA), eV:	-8.76(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-(1-propylsulfonylpiperidin-2-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=C4C(=CC(=C3)F)NC=N4

DOS

IR

Vibrations