Geometry & MOs

Info

ID:	28957
PubChem CID:	830862
Reduced:	NOS3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	276.101111
ΔH_f, kcal/mol:	-1.91
Dipole, Da:	2.11
IP(EA), eV:	-8.45(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CCCC(=O)N1C2=C(C=CC(=C2)C)C3=C(C1(C)C)SSC3=S

DOS

IR

Vibrations