Geometry & MOs

Info

ID:	162595
PubChem CID:	57395167
Reduced:	BrCl2O2N6H15C17 (1)
Stoich.:	AB2C2D6E15F17 (1)
Weight, g/mol:	397.079346
ΔH_f, kcal/mol:	13.71
Dipole, Da:	1.68
IP(EA), eV:	-8.44(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-N-pyridin-2-ylanilino)methyl]-7,8-difluoro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Br)NC2=NN(C(=N2)N)C(=O)NCC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations