Geometry & MOs

Info

ID:	128395
PubChem CID:	51042657
Reduced:	O2C8H9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	268.063011
ΔH_f, kcal/mol:	-120.1
Dipole, Da:	3.8
IP(EA), eV:	-8.59(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-pyrrolidin-1-ylsulfonyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=C(C(=C2)OC)OC)OC)O

DOS

IR

Vibrations