Geometry & MOs

Info

ID:	231111
PubChem CID:	87572662
Reduced:	FN2O10C25H35 (1)
Stoich.:	AB2C10D25E35 (1)
Weight, g/mol:	280.101191
ΔH_f, kcal/mol:	-455.77
Dipole, Da:	4.98
IP(EA), eV:	-8.95(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-fluoro-N-methyl-3-phenylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CC2=C(N(N=C2O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)OCC)O)O)O)O)C(C)C)C)F

DOS

IR

Vibrations