Geometry & MOs

Info

ID:	45578
PubChem CID:	10515154
Reduced:	BrOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	255.110673
ΔH_f, kcal/mol:	-40.89
Dipole, Da:	2.74
IP(EA), eV:	-8.7(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,2R,8S)-2-acetyloxy-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=C2C(=CC(=C1)Br)C(CO2)(C)C

DOS

IR

Vibrations