Geometry & MOs

Info

ID:	4039
PubChem CID:	10627
Reduced:	NO7C20H31 (1)
Stoich.:	AB7C20D31 (1)
Weight, g/mol:	397.210052
ΔH_f, kcal/mol:	-315.89
Dipole, Da:	1.2
IP(EA), eV:	-9.09(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoate

Drug info:

PubChemData

Smile

CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)O)(C(C)(C)O)O

DOS

IR

Vibrations