Geometry & MOs

Info

ID:	142565
PubChem CID:	53058485
Reduced:	O2N3H13C14 (2)
Stoich.:	A2B3C13D14 (2)
Weight, g/mol:	410.175419
ΔH_f, kcal/mol:	11.27
Dipole, Da:	3.99
IP(EA), eV:	-8.69(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=N2)C3=CN(C=N3)CC4=CC=C(C=C4)NC(=O)NC5=C(C=CC(=C5)OC)OC

DOS

IR

Vibrations