Geometry & MOs

Info

ID:	364781
PubChem CID:	127316119
Reduced:	SO3N5C17H29 (1)
Stoich.:	AB3C5D17E29 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-113.83
Dipole, Da:	3.49
IP(EA), eV:	-9.07(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCCCC1C(=O)N2CCN(CC2)CC3=NC=CN3

DOS

IR

Vibrations