Geometry & MOs

Info

ID:	422749
PubChem CID:	135118349
Reduced:	SN2O5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-175.79
Dipole, Da:	4.78
IP(EA), eV:	-9.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[[3-(pyrrolidine-1-carbonyl)pyridin-2-yl]amino]propyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4)OCC1

DOS

IR

Vibrations