Geometry & MOs

Info

ID:	196897
PubChem CID:	78892432
Reduced:	Cl2O2N5H19C20 (1)
Stoich.:	A2B2C5D19E20 (1)
Weight, g/mol:	416.134777
ΔH_f, kcal/mol:	-15.64
Dipole, Da:	7.99
IP(EA), eV:	-9.37(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(trifluoromethyl)quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC(C)C

DOS

IR

Vibrations