Geometry & MOs

Info

ID:	355621
PubChem CID:	127289379
Reduced:	SO3N4C17H28 (1)
Stoich.:	AB3C4D17E28 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-111.05
Dipole, Da:	5.87
IP(EA), eV:	-8.99(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]azocan-2-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CCS(=O)(=O)C3CCCC3

DOS

IR

Vibrations