Geometry & MOs

Info

ID:	142373
PubChem CID:	53023038
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	0.57
Dipole, Da:	6.18
IP(EA), eV:	-8.53(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C/C(=C\3/NOC(=N3)CCC(=O)NC4=CC=CC(=C4C)C)/C(=O)N=C2C=C1

DOS

IR

Vibrations