Geometry & MOs

Info

ID:	382321
PubChem CID:	134973400
Reduced:	NO2C27H29 (1)
Stoich.:	AB2C27D29 (1)
Weight, g/mol:	397.204179
ΔH_f, kcal/mol:	-18.89
Dipole, Da:	4.06
IP(EA), eV:	-8.89(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]2[C@H](CCN2C[C@@H]1O)OC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations