Geometry & MOs

Info

ID:	156766
PubChem CID:	56374532
Reduced:	SN2O5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	350.143056
ΔH_f, kcal/mol:	-160.51
Dipole, Da:	4.29
IP(EA), eV:	-8.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl)methyl 2-pyrrolidin-1-ylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC(=O)OCC3CC3

DOS

IR

Vibrations