Geometry & MOs

Info

ID:	143283
PubChem CID:	53179581
Reduced:	O2N6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	404.196074
ΔH_f, kcal/mol:	48.27
Dipole, Da:	3.22
IP(EA), eV:	-8.86(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[5-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethyl]morpholine

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)C2=CN3C(=NN=C3CC(=O)NC4=CC(=C(C=C4)C)C)C=C2

DOS

IR

Vibrations