Geometry & MOs

Info

ID:	142372
PubChem CID:	53022977
Reduced:	BrN3O5H20C23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	-133.56
Dipole, Da:	5.92
IP(EA), eV:	-8.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-3-[(3Z)-3-(6-methyl-2-oxoquinolin-3-ylidene)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CN1C2=C3C(OCCN3C(=C2C(=O)N(C1=O)C)C4=CC(=CC=C4)Br)C5=CC(=C(C=C5)O)O

DOS

IR

Vibrations