Geometry & MOs

Info

ID:	126695
PubChem CID:	50973317
Reduced:	O2N6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	263.142248
ΔH_f, kcal/mol:	110.26
Dipole, Da:	2.93
IP(EA), eV:	-9.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-5-(5-propylpyrimidin-2-yl)quinoline

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=N2)CN3CCCC3C4=NC(=NO4)C5=CC=CC=N5

DOS

IR

Vibrations