Geometry & MOs

Info

ID:	376476
PubChem CID:	134222491
Reduced:	NO4C33H39 (1)
Stoich.:	AB4C33D39 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-76.15
Dipole, Da:	3.44
IP(EA), eV:	-8.66(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S,8aR)-3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@H](CC1COCC2=CC=CC=C2)CC3CC(=NO3)CC4=CC=C(C=C4)OC)OCC5=CC=CC=C5

DOS

IR

Vibrations