Geometry & MOs

Info

ID:	121639
PubChem CID:	50775697
Reduced:	FO4N6C23H23 (1)
Stoich.:	AB4C6D23E23 (1)
Weight, g/mol:	508.162581
ΔH_f, kcal/mol:	-132.28
Dipole, Da:	4.8
IP(EA), eV:	-9.06(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-cyclopentyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C3=NN(C(=O)N23)CC(=O)NC4=CC=C(C=C4)F)C

DOS

IR

Vibrations