Geometry & MOs

Info

ID:	126098
PubChem CID:	50951536
Reduced:	OSN2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	319.179696
ΔH_f, kcal/mol:	6.91
Dipole, Da:	1.56
IP(EA), eV:	-8.86(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]quinoline

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CNC(C)COC2=CC=CC=C2

DOS

IR

Vibrations