Geometry & MOs

Info

ID:	349095
PubChem CID:	127274821
Reduced:	OSN5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	323.166748
ΔH_f, kcal/mol:	17.53
Dipole, Da:	5.94
IP(EA), eV:	-8.5(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC=CN2)C(=O)C3CCN(CC3)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations