Geometry & MOs

Info

ID:	144649
PubChem CID:	53392733
Reduced:	O8H14C17 (1)
Stoich.:	A8B14C17 (1)
Weight, g/mol:	394.179361
ΔH_f, kcal/mol:	-274.99
Dipole, Da:	4.66
IP(EA), eV:	-9.23(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline

Drug info:

PubChemData

Smile

CC(=O)OC1=CC(=CC2=C1C(=O)C3=C(O2)C(=C(C=C3)O)O)OCOC

DOS

IR

Vibrations