Geometry & MOs

Info

ID:	435154
PubChem CID:	135182126
Reduced:	ClF2N4H13C16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	237.078979
ΔH_f, kcal/mol:	-17.46
Dipole, Da:	5.7
IP(EA), eV:	-9.16(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxido-5-phenoxyquinolin-1-ium

Drug info:

PubChemData

Smile

CC1CCCC2=NC3=C(N12)C=C(C=C3F)C4=NC(=NC=C4F)Cl

DOS

IR

Vibrations