Geometry & MOs

Info

ID:	15012
PubChem CID:	427068
Reduced:	ON3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	213.090212
ΔH_f, kcal/mol:	45.13
Dipole, Da:	3.71
IP(EA), eV:	-9.11(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-2,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3C=CC=CN3C(=O)N2

DOS

IR

Vibrations