Geometry & MOs

Info

ID:	71150
PubChem CID:	48414363
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-4.56
Dipole, Da:	3.17
IP(EA), eV:	-8.82(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]butanamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N(C=N2)CCC(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations