Geometry & MOs

Info

ID:	224719
PubChem CID:	85348532
Reduced:	NOSeC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	189.055656
ΔH_f, kcal/mol:	25.55
Dipole, Da:	4.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.897282
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=NO)[Se])C

DOS

IR

Vibrations