Geometry & MOs

Info

ID:	190369
PubChem CID:	77992886
Reduced:	O3C16H20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	522.254338
ΔH_f, kcal/mol:	-50.97
Dipole, Da:	3.04
IP(EA), eV:	-9.16(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-fluorophenyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC=CC#CC#CC=CCCC(CCOC(=O)C)O

DOS

IR

Vibrations