Geometry & MOs

Info

ID:	447050
PubChem CID:	135279819
Reduced:	O2N5C23H45 (1)
Stoich.:	A2B5C23D45 (1)
Weight, g/mol:	382.22162
ΔH_f, kcal/mol:	-104.07
Dipole, Da:	2.96
IP(EA), eV:	-8.52(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-9-methyl-3-oxo-1,4-diazonane-1-carboxylate

Drug info:

PubChemData

Smile

CCNC(=NCCCN(C)CC1CCCC(C1)NC(=NC2CCCCC2)OC)OC

DOS

IR

Vibrations