Geometry & MOs

Info

ID:	355620
PubChem CID:	127289378
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	368.188212
ΔH_f, kcal/mol:	36.78
Dipole, Da:	7.86
IP(EA), eV:	-8.73(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=NNC4=C3CCC4

DOS

IR

Vibrations