Geometry & MOs

Info

ID:	14050
PubChem CID:	402653
Reduced:	ON4H12C15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	264.101111
ΔH_f, kcal/mol:	63.14
Dipole, Da:	2.1
IP(EA), eV:	-9.22(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3NN=CN3C4=CC=CC=C4C2=O

DOS

IR

Vibrations