Geometry & MOs

Info

ID:	188803
PubChem CID:	77769771
Reduced:	OF2N5H9C16 (1)
Stoich.:	AB2C5D9E16 (1)
Weight, g/mol:	638.310435
ΔH_f, kcal/mol:	41.72
Dipole, Da:	6.51
IP(EA), eV:	-9.35(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propylcarbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=O)N=NC1C2=C3C=NC=CN3N=C2C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations