Geometry & MOs

Info

ID:	149035
PubChem CID:	53788706
Reduced:	ON4C17H20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	373.062947
ΔH_f, kcal/mol:	63.38
Dipole, Da:	3.5
IP(EA), eV:	-8.64(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-2-nitroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H]2CN(CCN2C[C@H]1CC#N)C3=NOC4=CC=CC=C43

DOS

IR

Vibrations