Geometry & MOs

Info

ID:	56198
PubChem CID:	17422515
Reduced:	ON4H18C22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	366.115047
ΔH_f, kcal/mol:	78.05
Dipole, Da:	1.28
IP(EA), eV:	-8.97(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[2-(4-methylphenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=N1)C(=O)NNC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations