Geometry & MOs

Info

ID:	402350
PubChem CID:	135055634
Reduced:	O3C19H24 (1)
Stoich.:	A3B19C24 (1)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	-131.27
Dipole, Da:	4.43
IP(EA), eV:	-8.75(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aS)-8a-methyl-7-phenyl-1,2,3,8-tetrahydroindolizin-5-one

Drug info:

PubChemData

Smile

CC\1C2=C(CC(=O)/C1=C(/C3CCCCC3)\O)C=C(C=C2)OC

DOS

IR

Vibrations