Geometry & MOs

Info

ID:	336268
PubChem CID:	127255275
Reduced:	O2N5H19C20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	433.175004
ΔH_f, kcal/mol:	8.73
Dipole, Da:	7.18
IP(EA), eV:	-8.17(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=CN(N=C5)C

DOS

IR

Vibrations