Geometry & MOs

Info

ID:	31433
PubChem CID:	855713
Reduced:	OSN2H18C21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	252.137497
ΔH_f, kcal/mol:	50.44
Dipole, Da:	2.33
IP(EA), eV:	-8.86(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-piperazin-1-ylquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC2=CC(=C(N=C2C=C1)SCC(=O)C3=CC=C(C=C3)C)C#N

DOS

IR

Vibrations