Geometry & MOs

Info

ID:	442044
PubChem CID:	135248420
Reduced:	ON8C29H44 (1)
Stoich.:	AB8C29D44 (1)
Weight, g/mol:	495.34207
ΔH_f, kcal/mol:	15.96
Dipole, Da:	3.83
IP(EA), eV:	-8.51(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]propyl]-N-[3-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)NCCCNCCCC2=COC(=N2)CNC3=NC4=CC=CC=C4C(=N3)NC5CCNCC5

DOS

IR

Vibrations