Geometry & MOs

Info

ID:	142812
PubChem CID:	53095288
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	359.17461
ΔH_f, kcal/mol:	66.0
Dipole, Da:	6.49
IP(EA), eV:	-9.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-cyclopentylbenzotriazol-5-yl)-5-[(4-methylphenyl)methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)C3=NOC(=N3)CCC4CCCC4)N=N1

DOS

IR

Vibrations