Geometry & MOs

Info

ID:	187813
PubChem CID:	77628893
Reduced:	O3H4N4C6 (1)
Stoich.:	A3B4C4D6 (1)
Weight, g/mol:	551.06361
ΔH_f, kcal/mol:	-11.71
Dipole, Da:	4.45
IP(EA), eV:	-11.22(-2.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-4-(3-chloro-4-fluoroanilino)-6-[(5-phenyltriazolidin-4-yl)methylamino]quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=NC2=NC(=O)NC(=O)C2=N1

DOS

IR

Vibrations