Geometry & MOs

Info

ID:	127185
PubChem CID:	50993594
Reduced:	ClNO2H7C9 (2)
Stoich.:	ABC2D7E9 (2)
Weight, g/mol:	362.087827
ΔH_f, kcal/mol:	-31.19
Dipole, Da:	2.85
IP(EA), eV:	-9.03(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-4-methyl-8-nitro-5-phenyl-2-(trifluoromethyl)quinoline

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=C(C=C2[N+](=O)[O-])OC)C3=CC(=C(C=C3)Cl)Cl)OC

DOS

IR

Vibrations