Geometry & MOs

Info

ID:	189441
PubChem CID:	77856018
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	347.101224
ΔH_f, kcal/mol:	-31.94
Dipole, Da:	3.29
IP(EA), eV:	-8.69(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-3H-quinolin-2-one;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)SC)C=CC2CCC(=O)NN2

DOS

IR

Vibrations