Geometry & MOs

Info

ID:	382320
PubChem CID:	134973399
Reduced:	BrNH18C27 (1)
Stoich.:	ABC18D27 (1)
Weight, g/mol:	399.219829
ΔH_f, kcal/mol:	147.67
Dipole, Da:	3.35
IP(EA), eV:	-8.68(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R,8aS)-1-trityloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC(C2=CC=CC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)Br

DOS

IR

Vibrations