Geometry & MOs

Info

ID:	350125
PubChem CID:	127277203
Reduced:	SO3N4C17H24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	312.161997
ΔH_f, kcal/mol:	-49.59
Dipole, Da:	6.01
IP(EA), eV:	-8.7(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]piperidine

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=N2)S(=O)(=O)N3CCCC3CN4CCCCC4

DOS

IR

Vibrations