Geometry & MOs

Info

ID:	335883
PubChem CID:	127254745
Reduced:	N2O2C6H7 (2)
Stoich.:	A2B2C6D7 (2)
Weight, g/mol:	466.140783
ΔH_f, kcal/mol:	-70.59
Dipole, Da:	3.24
IP(EA), eV:	-8.76(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC(=O)C2=CC(=O)C(=CN2)OC

DOS

IR

Vibrations