Geometry & MOs

Info

ID:	126052
PubChem CID:	50949893
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	343.179696
ΔH_f, kcal/mol:	-35.74
Dipole, Da:	4.91
IP(EA), eV:	-8.7(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(8-methylquinolin-5-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1CCON(C1)CCC(=O)N2CCN3C(=CC(=N3)C(=O)NC4=CC=CC=C4)C2

DOS

IR

Vibrations