Geometry & MOs

Info

ID:	346237
PubChem CID:	127270741
Reduced:	SN2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	380.044296
ΔH_f, kcal/mol:	105.54
Dipole, Da:	3.86
IP(EA), eV:	-8.72(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

Drug info:

PubChemData

Smile

CC1=C2CCCC2=NC(=C1C#N)SCC3=CN4C=CSC4=N3

DOS

IR

Vibrations