Geometry & MOs

Info

ID:	121614
PubChem CID:	50775060
Reduced:	FO3N5H24C27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	511.201968
ΔH_f, kcal/mol:	-65.06
Dipole, Da:	2.56
IP(EA), eV:	-9.26(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C3=NN(C(=O)N23)CC4=CC=CC=C4F)CC5=CC=CC=C5

DOS

IR

Vibrations