Geometry & MOs

Info

ID:	342303
PubChem CID:	127265080
Reduced:	FO2N4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	295.099063
ΔH_f, kcal/mol:	-89.09
Dipole, Da:	8.56
IP(EA), eV:	-8.29(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylbutanenitrile

Drug info:

PubChemData

Smile

CN1CCC2=C(C1=O)C=C(C=C2)NC(=O)NCC3CCN(C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations