Geometry & MOs

Info

ID:	322429
PubChem CID:	126670123
Reduced:	IN3C5H12 (1)
Stoich.:	AB3C5D12 (1)
Weight, g/mol:	448.293722
ΔH_f, kcal/mol:	32.97
Dipole, Da:	2.6
IP(EA), eV:	-8.61(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 3-[2-(azetidin-1-yl)ethyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CN1CN(CN(C1)I)C

DOS

IR

Vibrations