Geometry & MOs

Info

ID:	25763
PubChem CID:	630499
Reduced:	N3O4H11C18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	333.108897
ΔH_f, kcal/mol:	-7.73
Dipole, Da:	2.83
IP(EA), eV:	-9.44(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-5-N-[3-(trifluoromethyl)phenyl]quinoline-5,8-diamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC(=NC(=C3C(=O)O2)N)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations