Geometry & MOs

Info

ID:	177034
PubChem CID:	76126723
Reduced:	NOSC11H21 (1)
Stoich.:	ABCD11E21 (1)
Weight, g/mol:	335.209658
ΔH_f, kcal/mol:	-54.32
Dipole, Da:	1.51
IP(EA), eV:	-8.72(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-cyclobutyl-2-hydroxy-3-(3-hydroxyprop-1-enyl)-1,2,3,3a,4,4a,5,6,7,9a-decahydrocyclopenta[b]indolizine-8-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(C1CC(=CC)CN1)SCC

DOS

IR

Vibrations