Geometry & MOs

Info

ID:	294595
PubChem CID:	117472967
Reduced:	BrFO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	292.028252
ΔH_f, kcal/mol:	-180.6
Dipole, Da:	6.36
IP(EA), eV:	-9.87(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dichloroquinolin-6-yl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC(CC1=C(C(=CC=C1)F)OC)C(=O)O.Br

DOS

IR

Vibrations