Geometry & MOs

Info

ID:	383157
PubChem CID:	134974723
Reduced:	NO3C20H31 (1)
Stoich.:	AB3C20D31 (1)
Weight, g/mol:	367.272259
ΔH_f, kcal/mol:	-137.37
Dipole, Da:	3.45
IP(EA), eV:	-9.19(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-1-(2-butyl-5,6,7,8,9,9a-hexahydro-4H-cycloocta[b]furan-2-yl)-2-hydroxyethyl]carbamate

Drug info:

PubChemData

Smile

CC1(N([C@@H](CO1)C#C/C/2=C/CCCCCC2)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations