Geometry & MOs

Info

ID:	392714
PubChem CID:	135017726
Reduced:	Si2O3C30H44 (1)
Stoich.:	A2B3C30D44 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-167.66
Dipole, Da:	4.02
IP(EA), eV:	-9.04(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,8S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one

Drug info:

PubChemData

Smile

CCC(CC#CC=O)(CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)O[Si](CC)(CC)CC

DOS

IR

Vibrations