Geometry & MOs

Info

ID:	364719
PubChem CID:	127316025
Reduced:	SO3N5C13H21 (1)
Stoich.:	AB3C5D13E21 (1)
Weight, g/mol:	374.243024
ΔH_f, kcal/mol:	-90.87
Dipole, Da:	1.56
IP(EA), eV:	-9.08(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)CC(=O)N2CCN(CC2)CC3=NC=CN3

DOS

IR

Vibrations