Geometry & MOs

Info

ID:	126217
PubChem CID:	50955605
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	305.138894
ΔH_f, kcal/mol:	20.07
Dipole, Da:	6.44
IP(EA), eV:	-8.53(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-1-yl]quinoline

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CO1)/CN2CCCC(C2)CN3C=CN=C3

DOS

IR

Vibrations