Geometry & MOs

Info

ID:	337233
PubChem CID:	127256798
Reduced:	ClN2O4H9C13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	153.115364
ΔH_f, kcal/mol:	-99.3
Dipole, Da:	2.43
IP(EA), eV:	-8.93(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,8aR)-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

Drug info:

PubChemData

Smile

C1N(C2=CC=CC=C2O1)C(=O)OC3=CC(=CNC3=O)Cl

DOS

IR

Vibrations