Geometry & MOs

Info

ID:	142566
PubChem CID:	53058680
Reduced:	FO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	410.175419
ΔH_f, kcal/mol:	-96.35
Dipole, Da:	3.16
IP(EA), eV:	-9.11(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-fluorophenyl)methyl]-4-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

Drug info:

PubChemData

Smile

CC(C)OCCCN1C(=O)C2=CC=CC=C2N3C1=NN(C3=O)CC4=CC=CC=C4F

DOS

IR

Vibrations