Geometry & MOs

Info

ID:	362526
PubChem CID:	127308100
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	337.236542
ΔH_f, kcal/mol:	8.31
Dipole, Da:	4.89
IP(EA), eV:	-9.12(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylmorpholin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)CC3=NC(=NO3)C4=CSC=C4

DOS

IR

Vibrations