Geometry & MOs

Info

ID:	126175
PubChem CID:	50954579
Reduced:	ON7C15H15 (1)
Stoich.:	AB7C15D15 (1)
Weight, g/mol:	264.137497
ΔH_f, kcal/mol:	80.9
Dipole, Da:	5.04
IP(EA), eV:	-9.01(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(5-cyclobutyl-3-methyl-1,2,4-triazol-1-yl)quinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NNC(=N2)CNCC(=O)NC3=NC=CN=C3

DOS

IR

Vibrations