Geometry & MOs

Info

ID:	142568
PubChem CID:	53058750
Reduced:	N2O2H11C13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	452.184841
ΔH_f, kcal/mol:	-33.49
Dipole, Da:	4.18
IP(EA), eV:	-9.04(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)CN2C(=O)N3C4=CC=CC=C4C(=O)N(C3=N2)CCC5=CC=CC=C5

DOS

IR

Vibrations