Geometry & MOs

Info

ID:	143678
PubChem CID:	53246752
Reduced:	N5H19C21 (1)
Stoich.:	A5B19C21 (1)
Weight, g/mol:	459.176976
ΔH_f, kcal/mol:	168.86
Dipole, Da:	5.2
IP(EA), eV:	-8.47(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(N2C1=NC(=N2)C#CC3=NC(=CN3C)C4=CC=CC=C4)C

DOS

IR

Vibrations