Geometry & MOs

Info

ID:	392059
PubChem CID:	135012508
Reduced:	O3H14C21 (1)
Stoich.:	A3B14C21 (1)
Weight, g/mol:	264.089878
ΔH_f, kcal/mol:	-16.68
Dipole, Da:	2.82
IP(EA), eV:	-8.67(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(benzylamino)quinoline-5,8-dione

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)C3=CC(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations