Geometry & MOs

Info

ID:	67794
PubChem CID:	46507177
Reduced:	O2N3H15C18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	4.08
Dipole, Da:	1.4
IP(EA), eV:	-8.53(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2C=NC3=C(C2=O)NC4=CC=CC=C43

DOS

IR

Vibrations