Geometry & MOs

Info

ID:	31226
PubChem CID:	855269
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	-96.84
Dipole, Da:	7.63
IP(EA), eV:	-9.02(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CC1=NC(=O)C2=CC=CC=C2N1)C3CCCC3

DOS

IR

Vibrations