Geometry & MOs

Info

ID:	121607
PubChem CID:	50775030
Reduced:	F3O3N5C25H26 (1)
Stoich.:	A3B3C5D25E26 (1)
Weight, g/mol:	501.156767
ΔH_f, kcal/mol:	-222.5
Dipole, Da:	4.79
IP(EA), eV:	-9.38(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2-[(4-chlorophenyl)methyl]-1,5-dioxo-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C3=NN(C(=O)N23)CC4=CC(=CC=C4)C(F)(F)F)C(C)C

DOS

IR

Vibrations