Geometry & MOs

Info

ID:	161532
PubChem CID:	57391918
Reduced:	ON5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	422.124212
ΔH_f, kcal/mol:	31.77
Dipole, Da:	1.94
IP(EA), eV:	-8.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1COC(CN1C2=NC=NC3=C2C4=CC=CC=C4N3)CN

DOS

IR

Vibrations