Geometry & MOs

Info

ID:	441031
PubChem CID:	135232771
Reduced:	N3C10H11 (1)
Stoich.:	A3B10C11 (1)
Weight, g/mol:	428.246378
ΔH_f, kcal/mol:	60.32
Dipole, Da:	2.41
IP(EA), eV:	-8.89(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-tert-butyl-2-methoxy-3-(2-methylphenyl)phenyl]-5-(2,6-dimethylphenyl)-2,5-dihydro-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CCC(=N1)C2=NC(=CC=C2)N

DOS

IR

Vibrations