Geometry & MOs

Info

ID:	85119
PubChem CID:	49871894
Reduced:	O2N6C31H32 (1)
Stoich.:	A2B6C31D32 (1)
Weight, g/mol:	601.161326
ΔH_f, kcal/mol:	15.41
Dipole, Da:	2.51
IP(EA), eV:	-8.7(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzoate

Drug info:

PubChemData

Smile

CC(C)C1=NN(C2=C1C(=NC=C2)C3=CC4=CC=CC=C4N=C3)C5=CC(=C(C=C5)C(=O)N)NC6CCC(CC6)O

DOS

IR

Vibrations