Geometry & MOs

Info

ID:	82035
PubChem CID:	49855510
Reduced:	FN2O3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	423.219178
ΔH_f, kcal/mol:	-155.29
Dipole, Da:	6.37
IP(EA), eV:	-8.74(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCOC2=CC(=C(C=C2)C(=O)CN3CCOCC3)F

DOS

IR

Vibrations