Geometry & MOs

Info

ID:	429850
PubChem CID:	135169903
Reduced:	ISN5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	355.094389
ΔH_f, kcal/mol:	110.72
Dipole, Da:	1.68
IP(EA), eV:	-8.74(-2.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(8-fluoroquinolin-4-yl)-3-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC2=C3C=C(C=CC3=NC=C2)C4=CN(C5=C4C=CC=N5)SI

DOS

IR

Vibrations