Geometry & MOs

Info

ID:	154309
PubChem CID:	56313722
Reduced:	N2O3F6H18C19 (1)
Stoich.:	A2B3C6D18E19 (1)
Weight, g/mol:	448.130218
ΔH_f, kcal/mol:	-374.48
Dipole, Da:	3.71
IP(EA), eV:	-8.94(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]quinoline-4-carbohydrazide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NNC2=CC=CC=C2C(F)(F)F)OCC(F)(F)F

DOS

IR

Vibrations