Geometry & MOs

Info

ID:	143284
PubChem CID:	53179979
Reduced:	ON3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	404.196074
ΔH_f, kcal/mol:	72.46
Dipole, Da:	7.3
IP(EA), eV:	-9.1(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC4=C(C=C3)N(N=N4)CCN5CCOCC5)C

DOS

IR

Vibrations