Geometry & MOs

Info

ID:	121620
PubChem CID:	50775107
Reduced:	ClO3N5H22C23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	435.170668
ΔH_f, kcal/mol:	-51.13
Dipole, Da:	3.72
IP(EA), eV:	-9.23(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N4C1=NN(C4=O)CC5=CC=CC=C5Cl

DOS

IR

Vibrations