Geometry & MOs

Info

ID:	402249
PubChem CID:	135055212
Reduced:	NOC24H27 (1)
Stoich.:	ABC24D27 (1)
Weight, g/mol:	291.02588
ΔH_f, kcal/mol:	-7.27
Dipole, Da:	2.41
IP(EA), eV:	-8.35(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aS)-7-(4-bromophenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=C2CCCCC2=C1)C3=C(C=CC4=CC=CC=C43)OC

DOS

IR

Vibrations