Geometry & MOs

Info

ID:	34567
PubChem CID:	7978677
Reduced:	ClFN3O3C17H19 (1)
Stoich.:	ABC3D3E17F19 (1)
Weight, g/mol:	389.150619
ΔH_f, kcal/mol:	-138.81
Dipole, Da:	7.0
IP(EA), eV:	-8.86(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=C(C=C2)F)Cl

DOS

IR

Vibrations