Geometry & MOs

Info

ID:	401975
PubChem CID:	135053646
Reduced:	BrON2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	343.141973
ΔH_f, kcal/mol:	13.08
Dipole, Da:	2.39
IP(EA), eV:	-8.76(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,8aR)-2-acetyloxy-8-benzylidene-3-oxo-1,2,5,6,7,8a-hexahydroindolizin-1-yl] acetate

Drug info:

PubChemData

Smile

CCCCCCCCC#CC1=NNC2=C(C1=O)C=C(C=C2Br)C

DOS

IR

Vibrations