Geometry & MOs

Info

ID:	327325
PubChem CID:	126689542
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	315.077454
ΔH_f, kcal/mol:	22.48
Dipole, Da:	2.63
IP(EA), eV:	-8.68(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-chlorophenyl)-5-(cyclopropylmethoxy)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

C1CC1COC2=C(C=CC3=NNC(=O)N32)C4=CC=CC=C4

DOS

IR

Vibrations