Geometry & MOs

Info

ID:	408139
PubChem CID:	135080899
Reduced:	BrClOF2H4C8 (1)
Stoich.:	ABCD2E4F8 (1)
Weight, g/mol:	153.15175
ΔH_f, kcal/mol:	-87.57
Dipole, Da:	1.62
IP(EA), eV:	-9.63(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R,8aS)-3,5-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OC(=C(F)Cl)F)Br

DOS

IR

Vibrations