Geometry & MOs

Info

ID:	169852
PubChem CID:	75157524
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	432.179755
ΔH_f, kcal/mol:	7.16
Dipole, Da:	5.62
IP(EA), eV:	-8.71(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-4-[3-(7-methyl-2-oxoquinolin-3-ylidene)-1,2,4-oxadiazol-5-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)CCCC2=NC(=C3C=C4C=CC(=CC4=NC3=O)C)NO2

DOS

IR

Vibrations