Geometry & MOs

Info

ID:	140303
PubChem CID:	52679044
Reduced:	FN2O2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	422.05937
ΔH_f, kcal/mol:	-17.89
Dipole, Da:	4.29
IP(EA), eV:	-9.19(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5-chloroquinolin-8-yl)methyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)F)N(C)CCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations